Mrv1572004221603062D          

 10  8  0  0  0  0            999 V2000
    0.1786   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5359   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5359    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1786    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2503    0.5156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1786    1.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7844    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM016391

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.Cl.NC1=CC=CC=C1N

> <INCHI_IDENTIFIER>
InChI=1S/C6H8N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h1-4H,7-8H2;2*1H

> <INCHI_KEY>
RIIWUGSYXOBDMC-UHFFFAOYSA-N

> <FORMULA>
C6H10Cl2N2

> <MOLECULAR_WEIGHT>
181.06

> <EXACT_MASS>
180.0221037

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
11.614610215230941

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
benzene-1,2-diamine dihydrochloride

> <ALOGPS_LOGP>
-0.08

> <JCHEM_LOGP>
0.3153939079999999

> <ALOGPS_LOGS>
-0.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.737460260497601

> <JCHEM_POLAR_SURFACE_AREA>
52.04

> <JCHEM_REFRACTIVITY>
35.458800000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.76e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
o-phenylenediamine dihydrochloride

> <JCHEM_VEBER_RULE>
0

> <NAME>
1,2-Phenylenediamine dihydrochloride

> <CAS>
615-28-1

$$$$