5929
  -OEChem-10051722063D

 25 25  0     1  0  0  0  0  0999 V2000
   -3.2656    0.1381    0.0329 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5043   -1.2355   -0.2604 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8632    0.2768    0.4363 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9500   -0.2361   -0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5206   -0.1725   -0.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6038    1.7441    0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393    0.9712   -0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1251   -1.2592    0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5979    1.0297   -0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4837   -1.2006    0.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2202   -0.0560    0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6852   -0.3106    1.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1292    0.3383   -1.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1706   -1.2776   -0.9597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347    2.1097    1.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6716    2.3840   -0.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6177    1.8828    1.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8770    0.4326    0.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7671    1.8211   -1.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5595   -2.1538    0.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1717    1.9204   -0.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9680   -2.0457    1.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   -0.0104    0.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -1.7804    0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4567   -1.3371   -0.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09250

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

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

> <SMILES>
CC(CC1=CC=CC=C1)NN

> <INCHI_IDENTIFIER>
InChI=1S/C9H14N2/c1-8(11-10)7-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3

> <INCHI_KEY>
VXTWEDPZMSVFEF-UHFFFAOYSA-N

> <FORMULA>
C9H14N2

> <MOLECULAR_WEIGHT>
150.225

> <EXACT_MASS>
150.115698459

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
17.472316992716515

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1-phenylpropan-2-yl)hydrazine

> <ALOGPS_LOGP>
1.69

> <JCHEM_LOGP>
1.6195950673333332

> <ALOGPS_LOGS>
-1.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.649550295774807

> <JCHEM_POLAR_SURFACE_AREA>
38.05

> <JCHEM_REFRACTIVITY>
58.682100000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.75e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pheniprazine

> <JCHEM_VEBER_RULE>
1

$$$$