Mrv0541 02241204572D          

  2  1  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Ni  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1417

> <DATABASE_NAME>
t3db

> <SMILES>
O=[Ni]

> <INCHI_IDENTIFIER>
InChI=1S/Ni.O

> <INCHI_KEY>
GNRSAWUEBMWBQH-UHFFFAOYSA-N

> <FORMULA>
NiO

> <MOLECULAR_WEIGHT>
74.6928

> <EXACT_MASS>
73.930262544

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
2.8789761653518973

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxonickel

> <JCHEM_LOGP>
-1.1014

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.2139958915076362

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
1.4429

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nickel(II) oxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1417

> <NAME>
Nickel trioxide

> <CAS>
1314-06-3

> <SYNONYMS>
Black nickel oxide; Bunsenite; Dinickel trioxide; Green nickel oxide; Mononickel oxide; Nickel (II) oxide; Nickel monoxide; Nickel oxide peroxide; Nickel oxide supported on silica; Nickel oxide-tungsten oxide; Nickel oxideo); Nickel peroxide; Nickel protoxide; Nickel sesquioxide; Nickel(2+) oxide; Nickel(II) oxide; Nickel(II) oxide, black; Nickel(III) oxide; Nickel(III)oxide; Nickelic oxide; Nickelous oxide

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

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