Mrv1718007031811212D          

 24 16  0  0  0  0            999 V2000
   -1.9692    0.0147    0.0000 Ni  0  2  0  0  0  0  0  0  0  0  0  0
    0.2672    0.0147    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2672   -0.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5577    0.0147    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0922    0.0147    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2672    0.8397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9692    1.4683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736    1.5370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0673    1.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1656   -1.3406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736   -1.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655   -1.5370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6837    1.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2547    1.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6408    1.1245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880    1.1245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3528    1.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7818    1.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4511   -1.1245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8801   -1.1245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6408   -1.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880   -1.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4512   -0.9281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8801   -0.9281    0.0000 H   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
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
> <DATABASE_ID>
DBSALT002756

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/Ni.H2O4S.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H2/q+2;;;;;;;/p-2

> <INCHI_KEY>
RRIWRJBSCGCBID-UHFFFAOYSA-L

> <FORMULA>
H12NiO10S

> <MOLECULAR_WEIGHT>
262.848

> <EXACT_MASS>
261.950465216

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805309098655745

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nickel(2+) hexahydrate 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 hexahydrate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002756

> <NAME>
Nickel sulfate hexahydrate

> <DRUG_DRUGBANK_ID>
DB14180

> <DRUG_NAME>
Nickel sulfate

> <CAS_NUMBER>
10101-97-0

> <UNII>
JC9WZ4FK68

$$$$