Mrv1572010241500132D          

 15 15  0  0  0  0            999 V2000
   -0.5787   -0.1278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8502    1.5221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8502    2.3471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1357    1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1357    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5787    1.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5787   -0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1357   -1.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2932   -1.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1357   -2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2932   -2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5787   -2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2932    1.2663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2932    2.6029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4071    2.6029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09251

> <DATABASE_NAME>
drugbank

> <SMILES>
[H]N([H])N([H])C(C)COC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C9H14N2O/c1-8(11-10)7-12-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3

> <INCHI_KEY>
QNEXFJFTGQBXBJ-UHFFFAOYSA-N

> <FORMULA>
C9H14N2O

> <MOLECULAR_WEIGHT>
166.224

> <EXACT_MASS>
166.110613079

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
18.67406761949035

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
1.37

> <JCHEM_LOGP>
1.250510352

> <ALOGPS_LOGS>
-1.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.45411973933432

> <JCHEM_POLAR_SURFACE_AREA>
47.28

> <JCHEM_REFRACTIVITY>
59.86670000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.03e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phenoxypropazine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09251

> <DRUG_GROUPS>
withdrawn

> <GENERIC_NAME>
Phenoxypropazine

$$$$