Mrv1718007041812152D          

  9  0  0  0  0  0            999 V2000
    0.7299   -0.1969    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -1.0646   -0.1969    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -0.1941    0.2932    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
    1.4825   -1.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4825    1.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4798   -1.3111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119    1.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.9843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0682   -1.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1  -1   2  -1   3   2
M  END
> <DATABASE_ID>
DBSALT002759

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O.O.O.O.O.[Cl-].[Cl-].[Co++]

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.Co.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2

> <INCHI_KEY>
GFHNAMRJFCEERV-UHFFFAOYSA-L

> <FORMULA>
Cl2CoH12O6

> <MOLECULAR_WEIGHT>
237.931

> <EXACT_MASS>
236.934293724

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lambda2-cobalt(2+) hexahydrate dichloride

> <ALOGPS_LOGP>
0.95

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
-0.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.000000000000001

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
5.6156

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.53e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lambda2-cobalt(2+) hexahydrate dichloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT002759

> <NAME>
Cobalt chloride hexahydrate

> <DRUG_DRUGBANK_ID>
DB14206

> <DRUG_NAME>
Cobalt chloride

> <CAS_NUMBER>
7791-13-1

> <UNII>
17AVG63ZBC

$$$$