Mrv1718007111817152D          

 12  4  0  0  0  0            999 V2000
   -2.7696    1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1196    1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9446    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9446    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9446    1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5946    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2196   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1375   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4946   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2196   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5946    1.6500    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  2  0  0  0  0
  5  4  2  0  0  0  0
M  CHG  3   1  -1   2  -1  12   2
M  END
> <DATABASE_ID>
DBSALT001305

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/H2O4S.6H2O.Zn/c1-5(2,3)4;;;;;;;/h(H2,1,2,3,4);6*1H2;/q;;;;;;;+2/p-2

> <INCHI_KEY>
QWCKCWSBAUZZLF-UHFFFAOYSA-L

> <FORMULA>
H12O10SZn

> <MOLECULAR_WEIGHT>
269.563

> <EXACT_MASS>
267.944263872

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278247285028

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zinc(2+) hexahydrate sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <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>
zinc(2+) hexahydrate sulfate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001305

> <NAME>
Zinc sulfate hexahydrate

> <DRUG_DRUGBANK_ID>
DB09322

> <DRUG_NAME>
Zinc sulfate

> <CAS_NUMBER>
13986-24-8

$$$$