Mrv0541 08251413492D          

  3  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cd  0  2  0  0  0  0  0  0  0  0  0  0
    1.0018    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
M  CHG  3   1   2   2  -1   3  -1
M  END
> <DATABASE_ID>
T3D0375

> <DATABASE_NAME>
t3db

> <SMILES>
[OH-].[OH-].[Cd++]

> <INCHI_IDENTIFIER>
InChI=1S/Cd.2H2O/h;2*1H2/q+2;;/p-2

> <INCHI_KEY>
PLLZRTNVEXYBNA-UHFFFAOYSA-L

> <FORMULA>
CdH2O2

> <MOLECULAR_WEIGHT>
146.426

> <EXACT_MASS>
147.908837429

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
cadmium(2+) ion dihydroxide

> <ALOGPS_LOGP>
-1.27

> <JCHEM_LOGP>
-0.07

> <ALOGPS_LOGS>
0.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
3.55

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.09

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.97e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cadmium(2+) ion dihydroxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0375

> <NAME>
Cadmium hydroxide

> <CAS>
21041-95-2

> <SYNONYMS>
Cadmium dihydroxide; Cadmium(2+) dihydroxide; Cadmium(2+) hydroxide; Cadmium(II) dihydroxide; Cadmium(II) hydroxide; Cd(OH)2; CdOH2

> <TYPES>
Inorganic Compound; Cadmium Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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