Mrv0541 02231219172D          

 12 13  0  0  1  0            999 V2000
   10.6821   -8.1129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0068   -8.5842    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2541   -8.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5471   -7.0119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2541   -7.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3504   -8.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6821   -7.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2741   -9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1077   -9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5471   -8.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8330   -7.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8330   -8.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  2  3  1  1  0  0  0
  8  2  1  0  0  0  0
  5  3  2  0  0  0  0
 10  3  1  0  0  0  0
  5  4  1  0  0  0  0
 11  4  2  0  0  0  0
  9  6  1  0  0  0  0
  9  8  1  0  0  0  0
 12 10  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00184

> <DATABASE_NAME>
drugbank

> <SMILES>
CN1CCC[C@H]1C1=CN=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1

> <INCHI_KEY>
SNICXCGAKADSCV-JTQLQIEISA-N

> <FORMULA>
C10H14N2

> <MOLECULAR_WEIGHT>
162.2316

> <EXACT_MASS>
162.115698458

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9744826745286677

> <JCHEM_AVERAGE_POLARIZABILITY>
18.589098097139342

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

> <ALOGPS_LOGP>
0.87

> <JCHEM_LOGP>
1.1625346926666664

> <ALOGPS_LOGS>
-0.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.57718555213823

> <JCHEM_POLAR_SURFACE_AREA>
16.130000000000003

> <JCHEM_REFRACTIVITY>
49.655

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.33e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00184

> <SECONDARY_ACCESSION_NUMBERS>
APRD00200; EXPT02315; DB09463; DB11303

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Nicotine

> <SYNONYMS>
(−)-nicotine; (S)-(−)-nicotine; (S)-3-(1-methylpyrrolidin-2-yl)pyridine; (S)-3-(N-methylpyrrolidin-2-yl)pyridine; (S)-Nicotine; 3-(2-(N-methylpyrrolidinyl))pyridine; 3-(N-methylpyrollidino)pyridine; L(−)-nicotine; Nicotina; Nicotine; Nicotine betadex; Nicotine polacrilex; Nikotin; Nikotyna

> <PRODUCTS>
American Fare Nicotine Transdermal System; Basic Care Nicotine; Basic Care Nicotine Mini; Basic Care nicotine; Berkley and Jensen NICOTINE; Berkley and Jensen Nicotine; Berkley and Jensen Nicotine Polacrilex; Berkley and Jensen nicotine; Bjwc Nicotine; Blip; Care One Nicotine; CareOne Mini Nicotine Polacrilex; CareOne Nicotine; CareOne Nicotine Transdermal System Step 1; CareOne Nicotine Transdermal System Step 2; CareOne Nicotine Transdermal System Step 3; CareOne nicotine; Careone Nicotine; Careone Nicotine Polacrilex; Commit; DG Health nicotine; Dg Health Nicotine; Equaline Nicotine; Equaline Nicotine Transdermal System Step 1; Equaline nicotine; Equate Nicotine; Equate nicotine; Euqate Nicotine; Exchange Select Nicotine; Exchange Select Nicotine Transdermal System Step 3; Family Wellness Nicotine; Foster and Thrive Nicotine; Good Neighbor Pharmacy Nicotine; Good Neighbor Pharmacy Nicotine Mini; Good Sense; Good Sense Nicotine; Good Sense Nicotine Mint; Good Sense Nicotine Stop Smoking Aid; HEB Nicotine; Habitrol Lozenge Cherry; Habitrol Lozenge Original Flavor; Habitrol Nicotine Polacrilex Lozenge Mint; Habitrol Patch Nicotine Transdermal System, Step 1; Habitrol Patch Nicotine Transdermal System, Step 2; Habitrol Patch Nicotine Transdermal System, Step 3; Habitrol Step 1; Habitrol Step 2; Habitrol Step 3; Harris Teeter Nicotine; Health Mart Nicotine; Health Mart Nicotine Polacrilex; Health Mart nicotine polacrilex; Healthmart Nicotine Transdermal System Step 1; Healthmart Nicotine Transdermal System Step 2; Healthmart Nicotine Transdermal System Step 3; Healthy Accents Nicotine; Humana Pharmacy Nicotine; In Control Nicotine; In control nicotine; Kirkland Signature Nicotine; Kirkland Signature Quit 2; Kirkland Signature Quit 4; Kroger Nicotine Transdermal System Step 1; Kroger Nicotine Transdermal System Step 2; Kroger Nicotine Transdermal System Step 3; Leader Nicotine; Leader Nicotine Transdermal System Step 1; Leader Nicotine Transdermal System Step 2; Leader Nicotine Transdermal System Step 3; Lucy Nicotine; Lucy nicotine; Maxi Nicotine; Medline; Meijer NICOTINE TRANSDERMAL SYSTEM STEP 2; Meijer NICOTINE TRANSDERMAL SYSTEM Step 1; Meijer NICOTINE TRANSDERMAL SYSTEM Step 3; Members Mark Mini Nicotine; Members Mark Nicotine; Mini Nicotine; NICOTINE Original; NICOTINE Transdermal System Step 1; NICOTINE Transdermal System Step 2; NICOTINE Transdermal System Step 3; Nicoderm Cq; Nicoderm Trd 114mg Nicotine/21; Nicoderm Trd 36mg Nicotine/7 Sqcm Patch; Nicoderm Trd 78mg Nicotine/14; Nicorelief; Nicorette; Nicorette 4mg Cinnamon Surge; Nicorette 4mg Fruit Chill Gum, Lil Drug Store; Nicorette 4mg White Ice Mint Gum, Lil Drug Store; Nicorette Cinnamon Surge; Nicorette Cinnamon Surge nicotine polacrilex; Nicorette Fresh Mint; Nicorette Fruit Chill; Nicorette Fruit Chill nicotine polacrilex; Nicorette Gum 2mg; Nicorette Invisipatch; Nicorette Mint; Nicorette Original; Nicorette Plus 4mg; Nicorette Spearmint Burst; Nicorette White Ice Mint; Nicorette White Mint nicotine polacrilex; Nicorette and Aquafresh Fruit Chill and Extreme Clean Whitening; Nicotac Nicotine Polacrilex Coated Cinnamon; Nicotac Nicotine Polacrilex Coated Fruit; Nicotac Nicotine Polacrilex Coated Mint; Nicotine; Nicotine COATED ice mint; Nicotine Coated Fruit Flavor; Nicotine Coated Mint; Nicotine Gum; Nicotine Lozenge; Nicotine Mini; Nicotine Mint Flavor; Nicotine Polacrilex; Nicotine Polacrilex Coated Fruit; Nicotine Polacrilex Coated Ice Mint; Nicotine Polacrilex Coated Mint; Nicotine Polacrilex Gum; Nicotine Polacrilex Lozenge Mint; Nicotine Polacrilex MINT; Nicotine Polacrilex Origianl Flavor; Nicotine Polacrilex Original; Nicotine Polacrilex Original Flavor; Nicotine Polacrilex Stop Smoking Aid; Nicotine Polacrilex coated cinnamon; Nicotine Polacrilex coated fruit; Nicotine Polacrilex coated ice mint; Nicotine Polacrilex coated mint; Nicotine Polacrilex original; Nicotine Polacrilex, Coated Fruit Flavor; Nicotine Polacrilex, Coated Mint Flavor; Nicotine Polacrilex, Original; Nicotine Resinate; Nicotine Stop Smoking Aid; Nicotine Sugar Free; Nicotine Tartrate; Nicotine Transdermal; Nicotine Transdermal Patches; Nicotine Transdermal System; Nicotine Transdermal System Step 1; Nicotine Transdermal System Step 2; Nicotine Transdermal System Step 3; Nicotine UN1654; Nicotine mini; Nicotine polacrilex; Nicotine transdermal; Nicotine transdermal system; Nicotine transdermal system step 1; Nicotine transdermal system step 2; Nicotine transdermal system step 3; Nicotrol; Nicotrol (Professional Sample); Nictoine Gum; Preferred Plus Nicotine; Preferred Plus Nicotine Polacrilex Gum, Original Flavor; Rexall Nicotine; Rite Aid Nicotine Transdermal System Step 1; Rite Aid Nicotine Transdermal System Step 2; Rite Aid Nicotine Transdermal System Step 3; Rugby Nicotine; Rugby Nicotine Polacrilex Gum, Coated Fruit Flavor; Rugby Nicotine Polacrilex Gum, Coated Mint Flavor; Rugby Nicotine Polacrilex Gum, Mint Flavor; Rugby Nicotine Polacrilex Gum, Original Flavor; Safeway Nicotine Transdermal System Step 1; Safeway Nicotine Transdermal System Step 2; Safeway Nicotine Transdermal System Step 3; Signature Care Nicotine; Simply Right Nicotine; Smart Sense Nicotine; Smart Sense Nicotine Mint; Smart Sense Nicotine Polacrilex; Sound Body Nicotine; Stop Smoking Aid; Stop Smoking Aid Nicotine; Sunmark Nicotine; Sunmark Nicotine Transdermal System Step 1; Sunmark Nicotine Transdermal System Step 2; Sunmark Nicotine Transdermal System Step 3; Thrive; TopCare Nicotine; Topcare Nicotine; Topcare Nicotine Gum; Topcare Nicotine Polacrilex; Topcare nicotine; Topcare nicotine stop smoking aid; Tru Relief Nicotine; Up and Up Cherry Ice Nicotine; Up and Up Cherry Nicotine; Up and Up Citrus Mini Nicotine; Up and Up Mini Nicotine; Up and Up Mini Nicotine Polacrilex; Up and Up Mint Nicotine; Up and Up Nicotine; Up and Up Nicotine Polacrilex; Up and Up nicotine; Zonnic; Zonnic Nicotine; Zonnic Nicotine Mini; Zonnic Nicotine Polacrilex; Zonnic nicotine; equate Nicotine; in control Nicotine; members mark Nicotine

> <INTERNATIONAL_BRANDS>
Habitrol; Nicoderm

> <SALTS>
Nicotine bitartrate; Nicotine bitartrate dihydrate

$$$$