Mrv1572010241500002D          

 10 10  0  0  0  0            999 V2000
    0.7132    1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0025    1.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0025   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7132    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7132    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0025   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7132   -1.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09248

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(NN)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H12N2/c1-7(10-9)8-5-3-2-4-6-8/h2-7,10H,9H2,1H3

> <INCHI_KEY>
HHRZAEJMHSGZNP-UHFFFAOYSA-N

> <FORMULA>
C8H12N2

> <MOLECULAR_WEIGHT>
136.198

> <EXACT_MASS>
136.100048394

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
15.649197349838733

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1-phenylethyl)hydrazine

> <ALOGPS_LOGP>
1.24

> <JCHEM_LOGP>
1.3309338623333329

> <ALOGPS_LOGS>
-1.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.326105548064039

> <JCHEM_POLAR_SURFACE_AREA>
38.05

> <JCHEM_REFRACTIVITY>
53.92710000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.06e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mebanazine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB09248

> <DRUG_GROUPS>
withdrawn

> <GENERIC_NAME>
Mebanazine

> <SYNONYMS>
Mebanazine

$$$$