Mrv0541 08221314172D          

 17 18  0  0  0  0            999 V2000
    1.8432    1.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0551    1.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5922   -2.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1342   -1.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2175   -2.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8666   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4851   -1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7167   -0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3514    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8711    1.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0569   -0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9412    0.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7111    1.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2107    0.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0844    0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724    0.8876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0825    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  9  8  1  0  0  0  0
 11  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  2  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT000814

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.CCNC1C2CCC(C2)C1C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H21N.ClH/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11;/h3-7,12-16H,2,8-10H2,1H3;1H

> <INCHI_KEY>
CVFSMSTXULJISA-UHFFFAOYSA-N

> <FORMULA>
C15H22ClN

> <MOLECULAR_WEIGHT>
251.795

> <EXACT_MASS>
251.144077416

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9997266375299408

> <JCHEM_AVERAGE_POLARIZABILITY>
26.132449339891217

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine hydrochloride

> <ALOGPS_LOGP>
3.46

> <JCHEM_LOGP>
3.2056741686666665

> <ALOGPS_LOGS>
-4.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.563142373934664

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
67.6398

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.95e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT000814

> <NAME>
Fencamfamine hydrochloride

> <DRUG_DRUGBANK_ID>
DB01463

> <DRUG_NAME>
Fencamfamin

> <CAS_NUMBER>
2240-14-4

> <UNII>
0M1J60BWEX

$$$$