Mrv1572004221606312D          

  7  3  0  0  0  0            999 V2000
    0.2062   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312   -0.3572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312    0.3572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3312    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0072    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.5062    0.0000    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
M  CHG  3   5  -1   6  -1   7   2
M  END
> <DATABASE_ID>
CHEM020204

> <DATABASE_NAME>
chemdb

> <SMILES>
[Cl-].[Cl-].[Pt++].NCCN

> <INCHI_IDENTIFIER>
InChI=1S/C2H8N2.2ClH.Pt/c3-1-2-4;;;/h1-4H2;2*1H;/q;;;+2/p-2

> <INCHI_KEY>
LMABILRJNNFCPG-UHFFFAOYSA-L

> <FORMULA>
C2H8Cl2N2Pt

> <MOLECULAR_WEIGHT>
326.08

> <EXACT_MASS>
324.971246

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
7.0816726643279795

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
platinum(2+) ion ethane-1,2-diamine dichloride

> <ALOGPS_LOGP>
0.43

> <JCHEM_LOGP>
-1.4224426739999998

> <ALOGPS_LOGS>
-0.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA_STRONGEST_BASIC>
9.686189055248613

> <JCHEM_POLAR_SURFACE_AREA>
52.04

> <JCHEM_REFRACTIVITY>
17.8686

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.97e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
platinum(2+) ion ethylenediamine dichloride

> <JCHEM_VEBER_RULE>
0

> <NAME>
Dichloro(ethylenediamine)platinum(II)

> <CAS>
14096-51-6

$$$$