513
  Mrv0541 02231214442D          

  9  8  0  0  0  0            999 V2000
    2.0930    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.2063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00513

> <DATABASE_NAME>
drugbank

> <SMILES>
NCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)

> <INCHI_KEY>
SLXKOJJOQWFEFD-UHFFFAOYSA-N

> <FORMULA>
C6H13NO2

> <MOLECULAR_WEIGHT>
131.1729

> <EXACT_MASS>
131.094628665

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0015256474343977589

> <JCHEM_AVERAGE_POLARIZABILITY>
14.711240455028708

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-aminohexanoic acid

> <ALOGPS_LOGP>
-2.69

> <JCHEM_LOGP>
-1.9971552340836574

> <ALOGPS_LOGS>
-0.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.726140016186165

> <JCHEM_PKA_STRONGEST_BASIC>
10.205507442299444

> <JCHEM_POLAR_SURFACE_AREA>
63.31999999999999

> <JCHEM_REFRACTIVITY>
34.6598

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.52e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00513

> <SECONDARY_ACCESSION_NUMBERS>
APRD00791; EXPT00408; EXPT00461; DB04134

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Aminocaproic acid

> <SYNONYMS>
6-Aminocaproic acid; 6-aminohexanoic acid; Acide aminocaproïque; Ácido aminocapróico; acidum aminocaproicum; Aminocaproic acid; Aminocapronsäure; EACA; EACS; Epsilcapramine; Epsilon Aminocaproic Acid; Epsilon-Aminocaproic acid; epsilon-Aminohexanoic acid; omega-Aminocaproic acid; omega-Aminohexanoic acid

> <PRODUCTS>
28tak Gum Care Tooth; Amicar; Amicar - Syr 250mg/ml; Amicar - Tab, 500mg; Amicar Inj 250mg/ml; Amicar Injection - Liq IV 250mg/ml; Amicar Syr 250mg/ml; Amicar Tab 500mg; Aminocaproic Acid; Aminocaproic acid; BAMBOO SALT Eunganggo Jook Yeom; BAMBOO SALT Eunganggo Jook Yeom Toothpaste; Clean Breath Tooth; Dr.EL GUM CARE TOOTH; Dr.LORD Green Propol Tooth; Exoden White Tooth; Gray Salt; Gray Salt Tooth; Greensaltrain Tooth; Hae Yan Tooth; Hea YanToothpaste; HiMangChanToothpaste; LACSIAN new perfect all care tooth; Mastikis Gold; Mastikis Mastic 24K; Mastikis Mastic GumCare; NAVI Black and C-Clinic; Relief and Nature Toothpast E Jasmine Mint; Rootsallo Toothpaste; Salt Tooth; Saltrain Tooth; Solco Platino Iondenti Tooth; Solmeet; Solmeet denti doctor; Yumaki Original Mint Tooth

> <INTERNATIONAL_BRANDS>
Acepramin; Amocap; Caproamin; Caprocat; Caprolisin; E-Capro; Epsicaprom; Hemocid; Inselon; Ipron; Ipsilon; Kai Nai Yin; Minocap; Plaslloid; Resplamin

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