Mrv1909 08172021432D          

 13  4  0  0  0  0            999 V2000
   -2.2250   -0.0202    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
   -0.5192    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5192    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3059    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3442    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5515    1.4845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5561    1.4622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3506    0.3459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775    0.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166   -0.9710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2436   -1.0380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3597    0.0111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
M  CHG  3   1   2   3  -1   4  -1
M  END
> <DATABASE_ID>
DBSALT002980

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/Co.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2

> <INCHI_KEY>
MEYVLGVRTYSQHI-UHFFFAOYSA-L

> <FORMULA>
CoH14O11S

> <MOLECULAR_WEIGHT>
281.09

> <EXACT_MASS>
280.958876

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.9999960608374163

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805309097760695

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lambda2-cobalt(2+) heptahydrate 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>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.0343490541919906

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <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>
DBSALT002980

> <NAME>
Cobaltous sulfate heptahydrate

> <DRUG_DRUGBANK_ID>
DB15760

> <DRUG_NAME>
Cobaltous sulfate

> <CAS_NUMBER>
10026-24-1

> <UNII>
Y8N698ZE0T

$$$$