3575
  Mrv0541 02231217022D          

 18 20  0  0  0  0            999 V2000
    3.2006    0.0355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9758   -0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6903   -0.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614   -0.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6903   -1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614   -1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5685   -0.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0573    0.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9758   -1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3884    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7933   -0.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820    1.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9758    1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2134    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3884    1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6259    1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2134    1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <DATABASE_ID>
DB03575

> <DATABASE_NAME>
drugbank

> <SMILES>
C1CCN(CC1)C1(CCCCC1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2

> <INCHI_KEY>
InChIKey=JTJMJGYZQZDUJJ-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
29.66010499711261

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
243.198699805

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C17H25N

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-(1-phenylcyclohexyl)piperidine

> <ALOGPS_LOGP>
5.31

> <JCHEM_LOGP>
4.488047959999999

> <ALOGPS_LOGS>
-4.87

> <JCHEM_MASS>
243.3871

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.642481023087806

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
77.64650000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.25e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phencyclidine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB03575

> <DRUG_GROUPS>
illicit

> <GENERIC_NAME>
Phencyclidine

> <SYNONYMS>
1-(1-Phenylcyclohexyl)piperidine; PCP

> <BRANDS>
Sernyl

> <SALTS>
Phencyclidine hydrochloride

$$$$