Mrv1572004191601242D          

 11  8  0  0  0  0            999 V2000
   -0.5500    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1000   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2750    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6929    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6929   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8679    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5179   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6929   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    0.0000    0.0000 Zr  0  0  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
 10  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  2  0  0  0  0
 10  9  2  0  0  0  0
M  CHG  5   1  -1   2  -1   6  -1   7  -1  11   4
M  END
> <DATABASE_ID>
CHEM004501

> <DATABASE_NAME>
chemdb

> <SMILES>
[Zr+4].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2H2O4S.Zr/c2*1-5(2,3)4;/h2*(H2,1,2,3,4);/q;;+4/p-4

> <INCHI_KEY>
ZXAUZSQITFJWPS-UHFFFAOYSA-J

> <FORMULA>
O8S2Zr

> <MOLECULAR_WEIGHT>
283.34

> <EXACT_MASS>
281.80816

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278247285028

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zirconium(4+) ion 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>
zirconium(4+) ion disulfate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Zirconium sulfate

> <CAS>
14644-61-2

> <SYNONYMS>
Zirconium(IV) sulfate

$$$$