Mrv0541 02241204572D          

  3  2  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 Ni  0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D0693

> <DATABASE_NAME>
t3db

> <SMILES>
O[Ni]O

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

> <INCHI_KEY>
BFDHFSHZJLFAMC-UHFFFAOYSA-L

> <FORMULA>
H2NiO2

> <MOLECULAR_WEIGHT>
92.7081

> <EXACT_MASS>
91.94082723

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
4.531787704419845

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nickeldiol

> <JCHEM_LOGP>
-1.8223999999999998

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.876033362793354

> <JCHEM_PKA_STRONGEST_BASIC>
-2.283952487010761

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
5.1292

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nickeldiol

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0693

> <NAME>
Nickel hydroxide

> <CAS>
12054-48-7

> <SYNONYMS>
Ni(OH)2; Nickel dihydroxide; Nickel hydroxide (amorphous); Nickel hydroxide(ous); Nickel(II) hydroxide; Nickelous hydroxide

> <TYPES>
Inorganic Compound; Nickel Compound; Pollutant; Industrial/Workplace Toxin; Natural Compound

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