Mrv0541 08221314242D          

 19 19  0  0  0  0            999 V2000
   -1.7862   -1.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -1.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.3437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.0687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.8937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7399    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12  2  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  4  0  0  0
 16 15  2  0  0  0  0
 17  3  1  0  0  0  0
 17 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017327

> <DATABASE_NAME>
chemdb

> <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>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
28.871498177456743

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
2.44

> <JCHEM_LOGP>
3.2988096058289527

> <ALOGPS_LOGS>
-3.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.965675613870429

> <JCHEM_PKA_STRONGEST_BASIC>
6.867461954895297

> <JCHEM_POLAR_SURFACE_AREA>
35.83

> <JCHEM_REFRACTIVITY>
77.07480000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.26e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
scandonest hydrochloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Mepivicaine hydrochloride

> <CAS>
1722-62-9

$$$$