Mrv1572010231518272D          

 16 16  0  0  0  0            999 V2000
   -2.8652    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8652   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1508   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4363   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4363    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1508    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7070    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7218    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4363    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1508    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5797    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5797   -1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7218    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 14  1  0  0  0  0
  9 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09247

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(C)NNC(=O)COC1=CC=C(Cl)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H15ClN2O2/c1-8(2)13-14-11(15)7-16-10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)

> <INCHI_KEY>
GGECDTUJZOXAAR-UHFFFAOYSA-N

> <FORMULA>
C11H15ClN2O2

> <MOLECULAR_WEIGHT>
242.7

> <EXACT_MASS>
242.0822054

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
25.20632792261789

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(4-chlorophenoxy)-N'-(propan-2-yl)acetohydrazide

> <ALOGPS_LOGP>
1.91

> <JCHEM_LOGP>
1.7912432733333334

> <ALOGPS_LOGS>
-3.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.582553708577644

> <JCHEM_PKA_STRONGEST_BASIC>
3.9674399368428115

> <JCHEM_POLAR_SURFACE_AREA>
50.36

> <JCHEM_REFRACTIVITY>
73.21179999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.00e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
iproclozide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09247

> <DRUG_GROUPS>
withdrawn

> <GENERIC_NAME>
Iproclozide

> <SYNONYMS>
Iproclozide

$$$$