71653
  -OEChem-10051722063D

 18 18  0     0  0  0  0  0  0999 V2000
    3.0535    1.2563   -0.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0326   -0.4364    0.0782 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8340   -1.3574    0.0185 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5159   -1.1936   -0.0062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8887    0.6087   -0.1677 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070   -1.0311   -0.0586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6287   -0.2666    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0273    0.0557    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1340    1.0220    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2395    1.1887    0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4749    0.1539   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7615    1.9059    0.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618    2.1879    0.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3854   -1.3850    0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7785    0.4145    0.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0871    0.6400   -1.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587   -1.9417   -0.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2214   -1.0173   -0.0731 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 14  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 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  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
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09243

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WRYZEGZNBYOMLE-UHFFFAOYSA-N/SDF?record_type=3d

> <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

$$$$