Mrv1909 08172021422D          

  6  4  0  0  0  0            999 V2000
   -0.8026   -0.0017    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276   -0.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8026    0.8232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8026   -0.8232    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0327   -0.0017    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6276   -0.4988    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
M  CHG  3   4  -1   5  -1   6   2
M  END
> <DATABASE_ID>
DB15760

> <DATABASE_NAME>
drugbank

> <SMILES>
[Co++].[O-]S([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Co.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2

> <INCHI_KEY>
KTVIXTQDYHMGHF-UHFFFAOYSA-L

> <FORMULA>
CoO4S

> <MOLECULAR_WEIGHT>
154.99

> <EXACT_MASS>
154.884924

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.9999960608374163

> <JCHEM_AVERAGE_POLARIZABILITY>
5.8052819739327735

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lambda2-cobalt(2+) sulfate

> <ALOGPS_LOGP>
-0.12

> <JCHEM_LOGP>
-0.8415520233333333

> <ALOGPS_LOGS>
-0.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.896425425713869

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.0343490541919906

> <JCHEM_POLAR_SURFACE_AREA>
80.26

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.04e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
unii-71TH42O2CQ

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB15760

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Cobaltous sulfate

> <SALTS>
Cobaltous sulfate heptahydrate

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