Mrv1909 02052014122D          

 19 19  0  0  0  0            999 V2000
    4.8157    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2767   -0.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0067    0.0651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7224   -0.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4457    0.8930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4521    0.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2767   -1.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    0.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7084   -1.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2814    1.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1506    1.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1390   -1.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4176   -1.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1513   -0.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4562    0.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899   -1.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8693    0.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8740    0.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15  8  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 18 11  1  0  0  0  0
 15 12  2  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT000478

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.CN1CCCCC1C(=O)NC1=C(C)C=CC=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H

> <INCHI_KEY>
RETIMRUQNCDCQB-UHFFFAOYSA-N

> <FORMULA>
C15H23ClN2O

> <MOLECULAR_WEIGHT>
282.809

> <EXACT_MASS>
282.149891075

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.6421157675362171

> <JCHEM_AVERAGE_POLARIZABILITY>
28.62891212180015

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide hydrochloride

> <ALOGPS_LOGP>
2.16

> <JCHEM_LOGP>
3.191619869666667

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.623901615091176

> <JCHEM_PKA_STRONGEST_BASIC>
7.253864226422993

> <JCHEM_POLAR_SURFACE_AREA>
32.34

> <JCHEM_REFRACTIVITY>
76.3197

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.21e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mepivacaine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT000478

> <NAME>
Mepivacaine hydrochloride

> <DRUG_DRUGBANK_ID>
DB00961

> <DRUG_NAME>
Mepivacaine

> <CAS_NUMBER>
1722-62-9

> <UNII>
4VFX2L7EM5

$$$$