Mrv1718007031811182D          

  6  4  0  0  0  0            999 V2000
   -1.5307    0.0000    0.0000 Ni  0  2  0  0  0  0  0  0  0  0  0  0
    0.7057    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7057   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1192    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5307    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7057    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
> <DATABASE_ID>
DB14180

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
LGQLOGILCSXPEA-UHFFFAOYSA-L

> <FORMULA>
NiO4S

> <MOLECULAR_WEIGHT>
154.756

> <EXACT_MASS>
153.8870771

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805309098655745

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nickel(2+) 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>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nickel sulfate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14180

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Nickel sulfate

> <SYNONYMS>
Nickel sulfate(1:1); Nickel sulphate; nickel(II) sulfate

> <PRODUCTS>
High Potency Multivitamins & Minerals Caplets; Milltrium Senior Vitamin and Mineral Supplement; Multivitamins and Minerals Tablets; Spectrum Performa Multivitamins and Minerals Tablets; T.R.U.E. Test Thin-Layer Rapid Use Patch Test

> <SALTS>
Nickel sulfate hexahydrate

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