Mrv0541 02241204062D          

 14  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1196    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    2.8286   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4821   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.4821   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4821   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.3071   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6571   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
M  CHG  8   1   1   2   1   3   2   4   2   5  -1   7  -1  10  -1  12  -1
M  END
> <DATABASE_ID>
T3D1475

> <DATABASE_NAME>
t3db

> <SMILES>
[NH4+].[NH4+].[Zn++].[Zn++].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2H3N.2H2O4S.2Zn/c;;2*1-5(2,3)4;;/h2*1H3;2*(H2,1,2,3,4);;/q;;;;2*+2/p-2

> <INCHI_KEY>
BYZLQJRGYGSJPL-UHFFFAOYSA-L

> <FORMULA>
H8N2O8S2Zn2

> <MOLECULAR_WEIGHT>
359.02

> <EXACT_MASS>
355.830499778

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805291890677037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dizinc(2+) ion diammonium disulfate

> <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>
dizinc(2+) ion diammonium disulfate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1475

> <NAME>
Zinc ammonium sulfate

> <CAS>
7783-24-6

> <SYNONYMS>
Diammonium zinc disulphate; Sulfuric acid, ammonium zinc salt (2:2:1); Zinc ammonium sulfic acid; Zinc ammonium sulphate; Zinc ammonium sulphic acid

> <TYPES>
Inorganic Compound; Zinc Compound; Industrial/Workplace Toxin; Synthetic Compound

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