Mrv1572004191602552D          

  5  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -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
   -0.4125    0.0000    0.0000 Zr  0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  5   1  -1   2  -1   3  -1   4  -1   5   4
M  END
> <DATABASE_ID>
CHEM010234

> <DATABASE_NAME>
chemdb

> <SMILES>
[OH-].[OH-].[OH-].[OH-].[Zr+4]

> <INCHI_IDENTIFIER>
InChI=1S/4H2O.Zr/h4*1H2;/q;;;;+4/p-4

> <INCHI_KEY>
HAIMOVORXAUUQK-UHFFFAOYSA-J

> <FORMULA>
H4O4Zr

> <MOLECULAR_WEIGHT>
159.252

> <EXACT_MASS>
157.91566

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
1.1909242651253518

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zirconium(4+) ion tetrahydroxide

> <JCHEM_LOGP>
-0.6519999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.7

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7999999999999998

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
13.914900000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
zirconium(4+) ion tetrahydroxide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Zirconium hydroxide (Zr(OH)4), (T-4)-

> <CAS>
14475-63-9

$$$$