Mrv0541 02241221442D          
 
  8  8  0  0  0  0            999 V2000
   10.8177   -8.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1110   -8.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5359   -8.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8140   -7.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1110   -9.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5359   -9.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5208   -7.2596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8177  -10.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM003974

> <DATABASE_NAME>
chemdb

> <SMILES>
NNC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2

> <INCHI_KEY>
HKOOXMFOFWEVGF-UHFFFAOYSA-N

> <FORMULA>
C6H8N2

> <MOLECULAR_WEIGHT>
108.1411

> <EXACT_MASS>
108.068748266

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
11.74143718074531

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
phenylhydrazine

> <ALOGPS_LOGP>
0.95

> <JCHEM_LOGP>
1.3648884256666667

> <ALOGPS_LOGS>
-0.22

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.346991244523717

> <JCHEM_POLAR_SURFACE_AREA>
38.05

> <JCHEM_REFRACTIVITY>
35.764700000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.46e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phenylhydrazine

> <JCHEM_VEBER_RULE>
1

> <NAME>
Phenylhydrazine hydrochloride

> <CAS>
59-88-1

> <SYNONYMS>
Phenyl hydrazine; Phenylhydrazine; phenylhydrazine

$$$$