Mrv0541 02241205142D          

 13  9  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Gd  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>
T3D3560

> <DATABASE_NAME>
t3db

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

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

> <INCHI_KEY>
MWFSXYMZCVAQCC-UHFFFAOYSA-N

> <FORMULA>
GdN3O9

> <MOLECULAR_WEIGHT>
343.26

> <EXACT_MASS>
343.887554146

> <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>
gadolinium(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>
gadolinium(3+) ion trinitrate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3560

> <NAME>
Gadolinium nitrate

> <CAS>
10168-81-7

> <SYNONYMS>
Gadolinium nitric acid; Gadolinium trinitrate; Gadolinium(III) nitrate (1:3); Nitric acid gadolinium(3+) salt

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

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