Mrv0541 02241205142D          

 13  9  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Fe  0  1  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
    3.6536   -2.3645    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2411   -3.0789    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6536   -3.7934    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4161   -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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  CHG  8   1   3   2  -1   3   1   4  -1   6  -1   7   1   8  -1  10  -1
M  CHG  2  11   1  12  -1
M  END
> <DATABASE_ID>
T3D3563

> <DATABASE_NAME>
t3db

> <SMILES>
[Fe+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O

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

> <INCHI_KEY>
VCJMYUPGQJHHFU-UHFFFAOYSA-N

> <FORMULA>
FeN3O9

> <MOLECULAR_WEIGHT>
241.86

> <EXACT_MASS>
241.898395746

> <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>
iron(3+) ion trinitrate

> <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>
iron(3+) ion trinitrate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3563

> <NAME>
Iron(III) nitrate

> <CAS>
10421-48-4

> <SYNONYMS>
Ferric nitrate; Ferric nitrate hexahydrate; Ferric nitrate iron salt; Ferric nitrate nonahydrate; Ferric nitrate octacosahydrate; Ferric nitrate octapentacontahydrate; Ferric nitrate octatriacontahydrate; Ferric nitrate pentadecahydrate; Ferric nitrate undecahydrate; Iron (III) nitrate anhydrous; Iron nitrate; Iron trinitrate; Iron(III) nitrate anhydrous; Iron(III) nitric acid

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

$$$$