Mrv0541 02241205182D          

  4  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214   -1.6500    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
T3D1383

> <DATABASE_NAME>
t3db

> <SMILES>
O.O.O.[Co]

> <INCHI_IDENTIFIER>
InChI=1S/Co.3H2O/h;3*1H2

> <INCHI_KEY>
WHWYFOIYRCTLFZ-UHFFFAOYSA-N

> <FORMULA>
CoH6O3

> <MOLECULAR_WEIGHT>
112.979

> <EXACT_MASS>
112.964894252

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.5082203897359623

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
cobalt trihydrate

> <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>
25.3

> <JCHEM_REFRACTIVITY>
3.7

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
cobalt trihydrate

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1383

> <NAME>
Cobalt(III) hydroxide

> <CAS>
1307-86-4

> <SYNONYMS>
Cobalt hydroxide; Cobalt trihydroxide; Cobaltic hydroxide

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

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