Mrv1572010231518082D          

 16 16  0  0  0  0            999 V2000
    1.4290    1.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.5692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436   -0.5692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1436    0.2557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -1.4933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5865   -0.8251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436   -0.0577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5865    0.5115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1436   -0.2557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <DATABASE_ID>
DB09243

> <DATABASE_NAME>
drugbank

> <SMILES>
[H]N([H])N([H])C1=NN=C(C=C1)C(=O)N([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C5H7N5O/c6-5(11)3-1-2-4(8-7)10-9-3/h1-2H,7H2,(H2,6,11)(H,8,10)

> <INCHI_KEY>
WRYZEGZNBYOMLE-UHFFFAOYSA-N

> <FORMULA>
C5H7N5O

> <MOLECULAR_WEIGHT>
153.145

> <EXACT_MASS>
153.065059865

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
14.145653141766154

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-hydrazinylpyridazine-3-carboxamide

> <ALOGPS_LOGP>
-0.95

> <JCHEM_LOGP>
-1.001605803

> <ALOGPS_LOGS>
-1.22

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.03253494247285

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.879558550907152

> <JCHEM_PKA_STRONGEST_BASIC>
6.033602590609061

> <JCHEM_POLAR_SURFACE_AREA>
106.92

> <JCHEM_REFRACTIVITY>
42.49100000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.30e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hydracarbazine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09243

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Hydracarbazine

> <SYNONYMS>
Hydracarbazine

$$$$