Mrv0541 09231415492D          

  9  6  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ni  0  2  0  0  0  0  0  0  0  0  0  0
    3.2411    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286   -0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2411   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0036   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0789    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.7934    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  CHG  7   1   2   2  -1   3   1   4  -1   6  -1   7   1   8  -1
M  END
> <DATABASE_ID>
T3D0695

> <DATABASE_NAME>
t3db

> <SMILES>
[Ni++].[O-][N+]([O-])=O.[O-][N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2NO3.Ni/c2*2-1(3)4;/q2*-1;+2

> <INCHI_KEY>
KBJMLQFLOWQJNF-UHFFFAOYSA-N

> <FORMULA>
N2NiO6

> <MOLECULAR_WEIGHT>
182.7032

> <EXACT_MASS>
181.910983664

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
3.275441232355817

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
nickel(2+) ion dinitrate

> <JCHEM_LOGP>
-2.574421943

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_BASIC>
-9.93762264919614

> <JCHEM_POLAR_SURFACE_AREA>
66.19999999999999

> <JCHEM_REFRACTIVITY>
8.3471

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nickel(2+) ion dinitrate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0695

> <NAME>
Nickel nitrate

> <CAS>
13138-45-9

> <SYNONYMS>
Ni(NO3)2; Nickel bis(nitrate); Nickel dinitrate; Nickel nitric acid; Nickel(2+) nitrate; Nickel(II) nitrate; Nickel(II) nitrate (1:2); Nickelous nitrate

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

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