Mrv0541 02241205142D          

  9  6  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ca  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>
T3D3554

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/Ca.2NO3/c;2*2-1(3)4/q+2;2*-1

> <INCHI_KEY>
ZCCIPPOKBCJFDN-UHFFFAOYSA-N

> <FORMULA>
CaN2O6

> <MOLECULAR_WEIGHT>
164.088

> <EXACT_MASS>
163.938226897

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
3.239762129889275

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
calcium dinitrate

> <JCHEM_LOGP>
0.02841376366666668

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.399990368988571

> <JCHEM_PKA_STRONGEST_BASIC>
-6.054117228555776

> <JCHEM_POLAR_SURFACE_AREA>
68.88

> <JCHEM_REFRACTIVITY>
9.8534

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
calcium dinitrate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3554

> <NAME>
Calcium nitrate

> <CAS>
10124-37-5

> <SYNONYMS>
Anhydrous calcium nitrate; Calcium dinitrate; Calcium nitrate solution; Calcium nitric acid; Calcium saltpeter; Calcium standard for aas; Calcium(II) nitrate (1:2); Lime nitrate; Lime saltpeter; Nitric acid, calcium salt; Nitrocalcite; Norge saltpeter; Norway saltpeter; Norwegian saltpeter; Saltpeter; Synfat 1006

> <TYPES>
Inorganic Compound; Nitrite; Fertilizer; Nitrate; Food Toxin; Household Toxin; Synthetic Compound

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