1463
  Mrv0541 02231215302D          

 16 18  0  0  1  0            999 V2000
    2.6602    0.9070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2984    0.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5119    1.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8696   -0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4571    0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8097    0.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0231    0.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6561   -0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4467    1.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8592   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2394   -1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    1.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6457   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0258   -2.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2289   -2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
DB01463

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C15H21N/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

> <INCHI_KEY>
IKFBPFGUINLYQI-UHFFFAOYSA-N

> <FORMULA>
C15H21N

> <MOLECULAR_WEIGHT>
215.3339

> <EXACT_MASS>
215.167399677

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9997266375299408

> <JCHEM_AVERAGE_POLARIZABILITY>
26.129915008112896

> <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

> <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>
67.63980000000001

> <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>
DB01463

> <DRUG_GROUPS>
experimental; illicit; withdrawn

> <GENERIC_NAME>
Fencamfamin

> <SYNONYMS>
Fencamfamin; Fencamfamina; Fencamfamine; Fencamfaminum; Fencanfamina; Phencamphamine

> <INTERNATIONAL_BRANDS>
Glucoenergan; Reactivan

> <SALTS>
Fencamfamine hydrochloride

$$$$