Mrv0541 08251413502D          

  9  6  0  0  0  0            999 V2000
    0.0000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3645    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  5  2  0  0  0  0
M  CHG  3   2  -1   6  -1   9   2
M  END
> <DATABASE_ID>
T3D0735

> <DATABASE_NAME>
t3db

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

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

> <INCHI_KEY>
ONDPHDOFVYQSGI-UHFFFAOYSA-N

> <FORMULA>
N2O6Zn

> <MOLECULAR_WEIGHT>
189.419

> <EXACT_MASS>
187.90478232

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
3.239762129889275

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zinc(2+) ion dinitrate

> <JCHEM_LOGP>
0.02841376366666668

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.3999999999999995

> <JCHEM_PKA_STRONGEST_BASIC>
-9.972159999999999

> <JCHEM_POLAR_SURFACE_AREA>
68.88

> <JCHEM_REFRACTIVITY>
9.8534

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
zinc(2+) ion dinitrate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0735

> <NAME>
Zinc nitrate

> <CAS>
7779-88-6

> <SYNONYMS>
(Zn(NO3)2); Celloxan; Nitric acid, zinc salt; X 4 (nitrate); Zinc dinitrate; Zinc nitric acid

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

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