Mrv1718002061818582D          

 15 14  0  0  0  0            999 V2000
    0.3567    0.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3555   -0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0698   -0.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7857   -0.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7829    0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0680    1.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0656    1.8674    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3587   -0.6079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0686   -0.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7809   -0.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7857   -1.4235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0722   -1.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3538   -1.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0816   -1.8674    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3556    0.6634    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  6  7  1  0  0  0  0
  3  4  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  8 13  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
M  END
> <DATABASE_ID>
DBSALT002642

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.Cl.ClC1=CC=CC(=C1)N1CCNCC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H13ClN2.2ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;;/h1-3,8,12H,4-7H2;2*1H

> <INCHI_KEY>
OSZCTRWSGNWWBL-UHFFFAOYSA-N

> <FORMULA>
C10H15Cl3N2

> <MOLECULAR_WEIGHT>
269.59

> <EXACT_MASS>
268.0300816

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
20.91385666466379

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-(3-chlorophenyl)piperazine dihydrochloride

> <ALOGPS_LOGP>
2.07

> <JCHEM_LOGP>
2.149405992666667

> <ALOGPS_LOGS>
-1.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.870108750816806

> <JCHEM_POLAR_SURFACE_AREA>
15.27

> <JCHEM_REFRACTIVITY>
56.046800000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.12e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
m-chlorophenylpiperazine dihydrochloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT002642

> <NAME>
m-Chlorophenylpiperazine dihydrochloride

> <DRUG_DRUGBANK_ID>
DB12110

> <DRUG_NAME>
m-Chlorophenylpiperazine

> <CAS_NUMBER>
51639-49-7

> <UNII>
MY02G3EAXQ

$$$$