Mrv1572010241500162D          

 17 17  0  0  0  0            999 V2000
    1.3736    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1657    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6592    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7697   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7697   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4842   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4842   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7697   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4982    1.0807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3877   -0.2557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09252

> <DATABASE_NAME>
drugbank

> <SMILES>
[H]N(CC1=CC=CC=C1)N([H])C(=O)C(C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C12H18N2O/c1-12(2,3)11(15)14-13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)

> <INCHI_KEY>
FWWDFDMCZLOXQI-UHFFFAOYSA-N

> <FORMULA>
C12H18N2O

> <MOLECULAR_WEIGHT>
206.289

> <EXACT_MASS>
206.141913208

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
23.28001508918415

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N'-benzyl-2,2-dimethylpropanehydrazide

> <ALOGPS_LOGP>
1.77

> <JCHEM_LOGP>
2.420921589333334

> <ALOGPS_LOGS>
-2.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.913330794794167

> <JCHEM_PKA_STRONGEST_BASIC>
3.405278352309588

> <JCHEM_POLAR_SURFACE_AREA>
41.13

> <JCHEM_REFRACTIVITY>
71.59250000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.30e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pivalylbenzhydrazine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09252

> <DRUG_GROUPS>
withdrawn

> <GENERIC_NAME>
Pivhydrazine

> <SYNONYMS>
Pivalylbenzhydrazine; Pivazide

> <INTERNATIONAL_BRANDS>
Angorvid; Betamezid; Tersavid

$$$$