Mrv1572004191601232D          

 17 12  0  0  0  0            999 V2000
    0.3300    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4950    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7425   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3354   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7479    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7479   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5104   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0789    0.0000 N   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
    0.4125   -3.7934    0.0000 O   0  0  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
    3.0054   -3.0789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4179   -2.3645    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4179   -3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1804   -3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200    0.0000    0.0000 Zr  0  0  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
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  2  0  0  0  0
M  CHG  5   2  -1   6  -1  10  -1  14  -1  17   4
M  END
> <DATABASE_ID>
CHEM004497

> <DATABASE_NAME>
chemdb

> <SMILES>
[Zr+4].[O-]N(=O)=O.[O-]N(=O)=O.[O-]N(=O)=O.[O-]N(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/4NO3.Zr/c4*2-1(3)4;/q4*-1;+4

> <INCHI_KEY>
OERNJTNJEZOPIA-UHFFFAOYSA-N

> <FORMULA>
N4O12Zr

> <MOLECULAR_WEIGHT>
339.24

> <EXACT_MASS>
337.85597

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
3.239762129889275

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zirconium(4+) ion tetranitrate

> <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>
zirconium(4+) ion tetranitrate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Zirconium nitrate

> <CAS>
13746-89-9

$$$$