Mrv0541 09051417042D          

  6  4  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1821    0.0000    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   6   2
M  END
> <DATABASE_ID>
T3D0744

> <DATABASE_NAME>
t3db

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

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

> <INCHI_KEY>
NWONKYPBYAMBJT-UHFFFAOYSA-L

> <FORMULA>
O4SZn

> <MOLECULAR_WEIGHT>
161.472

> <EXACT_MASS>
159.880875756

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278247285028

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zinc(2+) ion 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+) ion sulfate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0744

> <NAME>
Zinc sulfate

> <CAS>
7733-02-0

> <SYNONYMS>
Bonazen; Bufopto zinc sulfate; Bufopto zinc sulphate; Complexonat; Kreatol; Medizinc; Neozin; Nu-z; Op-thal-zin; Optised; Optraex; Orazinc; Prefrin-z; Solvazinc; Solvezinc; Solvezink; Sulfate, zinc; Sulfuric acid zinc salt; Sulfuric acid zinc salt (1:1); Sulfuric acid, zinc salt; Sulfuric acid, zinc salt (1:1); Verazinc; Visine-ac; White copperas; White vitriol; Z-Span; Zinc sulfate (1:1); Zinc sulfate anhydrous; Zinc sulfate, heptahydrate; Zinc sulfic acid; Zinc sulphate; Zinc sulphate (1:1); Zinc sulphate anhydrous; Zinc sulphate, heptahydrate; Zinc sulphic acid; Zinc vitriol; Zinc(2+) sulfate; Zinc(2+) sulphate; Zinc(II) sulfate; Zinc(II) sulphate; Zincaps; Zincate; Zincomed; Zincosite; Zincteral; Zink-gro; Zinklet; Zinkosite; ZnSO4

> <TYPES>
Inorganic Compound; Zinc Compound; Food Toxin; Metabolite; Cosmetic Toxin; Household Toxin; Industrial/Workplace Toxin; Natural Compound

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