Mrv0541 02241216502D          

  6  4  0  0  0  0            999 V2000
    0.6599   -0.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6599    0.4123    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6599    1.2377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4853    0.4123    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1647    0.4123    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4853   -1.2377    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  CHG  3   4  -1   5  -1   6   2
M  END
> <DATABASE_ID>
T3D0669

> <DATABASE_NAME>
t3db

> <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>
154.996

> <EXACT_MASS>
154.884929372

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805285750407586

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ²-cobalt(2+) ion sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138693

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
80.26

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
λ²-cobalt(2+) ion sulfate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0669

> <NAME>
Cobalt sulfate

> <CAS>
10124-43-3

> <SYNONYMS>
Cobalt (2+) sulfate; Cobalt (2+) sulphate; Cobalt brown; Cobalt monosulfate; Cobalt monosulphate; Cobalt sulfate (1:1); Cobalt sulfate (CoSO4); Cobalt sulfate, heptahydrate; Cobalt sulfic acid; Cobalt sulphate; Cobalt sulphate (1:1); Cobalt sulphate (CoSO4); Cobalt sulphate, heptahydrate; Cobalt sulphic acid; Cobalt(2+) sulfate; Cobalt(2+) sulphate; Cobalt(II) sulfate; Cobalt(II) sulphate; Cobaltous sulfate; Cobaltous sulfate salt (1:1); Cobaltous sulphate; Cobaltous sulphate salt (1:1); CoSO4; Sulfuric acid, cobalt(2+) salt (1:1)

> <TYPES>
Inorganic Compound; Cobalt Compound; Pollutant; Food Toxin; Metabolite; Industrial/Workplace Toxin; Synthetic Compound

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