Mrv1572010241500092D          

 12 11  0  0  0  0            999 V2000
   -0.3403   -0.3970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2410   -0.7610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0493    0.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1764   -0.2978    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7631    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3403    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7631   -0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4532    0.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3780    0.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4532   -0.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1764    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1764   -0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001273

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.CC(CC1=CC=CC=C1)NN

> <INCHI_IDENTIFIER>
InChI=1S/C9H14N2.ClH/c1-8(11-10)7-9-5-3-2-4-6-9;/h2-6,8,11H,7,10H2,1H3;1H

> <INCHI_KEY>
HXCTUSBYMZQLKB-UHFFFAOYSA-N

> <FORMULA>
C9H15ClN2

> <MOLECULAR_WEIGHT>
186.68

> <EXACT_MASS>
186.0923762

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
17.472316992716515

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1-phenylpropan-2-yl)hydrazine hydrochloride

> <ALOGPS_LOGP>
1.69

> <JCHEM_LOGP>
1.6195950673333332

> <ALOGPS_LOGS>
-1.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.649550295774807

> <JCHEM_POLAR_SURFACE_AREA>
38.05

> <JCHEM_REFRACTIVITY>
58.682100000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.75e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pheniprazine hydrochloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT001273

> <NAME>
Pheniprazine hydrochloride

> <DRUG_DRUGBANK_ID>
DB09250

> <DRUG_NAME>
Pheniprazine

> <CAS_NUMBER>
66-05-7

> <UNII>
5B3OM8452C

$$$$