Mrv1909 11291916492D          

 18 17  0  0  0  0            999 V2000
    4.3087    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5050    0.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2195    0.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2195   -0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7905    0.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0761    0.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5050   -0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5050   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7905   -0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0761   -0.7486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3616   -0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3616    0.4888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3528   -0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0672    0.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7817    0.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0672   -0.3361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7817   -0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4962   -0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  2  0  0  0  0
  4  7  1  0  0  0  0
  7  9  2  0  0  0  0
  9  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 16  1  0  0  0  0
 16 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001508

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.CCN(CC)CC(=O)NC1=C(C)C=CC=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C14H22N2O.ClH/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H

> <INCHI_KEY>
IYBQHJMYDGVZRY-UHFFFAOYSA-N

> <FORMULA>
C14H23ClN2O

> <MOLECULAR_WEIGHT>
270.8

> <EXACT_MASS>
270.1498911

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
27.767945514113045

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide hydrochloride

> <ALOGPS_LOGP>
1.81

> <JCHEM_LOGP>
2.842913359666667

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.775423132503196

> <JCHEM_PKA_STRONGEST_BASIC>
7.754504502964598

> <JCHEM_POLAR_SURFACE_AREA>
32.34

> <JCHEM_REFRACTIVITY>
73.92960000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.93e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
palladium(2+) (4S,5S,14R,15R)-10-acetyl-4-(2-carboxyethyl)-15-ethyl-2-(2-methoxy-2-oxoethyl)-5,9,14,19-tetramethyl-20-[(2-sulfoethyl)carbamoyl]-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,16(22),17,19-nonaene-21,23-diide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT001508

> <NAME>
Lidocaine hydrochloride anhydrous

> <DRUG_DRUGBANK_ID>
DB00281

> <DRUG_NAME>
Lidocaine

> <CAS_NUMBER>
73-78-9

> <UNII>
EC2CNF7XFP

$$$$