Mrv1572004191602322D          

 13  9  0  0  0  0            999 V2000
    0.6600    1.1432    0.0000 La  0  1  0  0  0  0  0  0  0  0  0  0
   -0.1650   -0.2858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2475    0.4287    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2475   -1.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9900   -0.2858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2529   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6654    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6654   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4279   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.6503    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4125   -4.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  2  0  0  0  0
M  CHG  4   1   3   3  -1   7  -1  11  -1
M  END
> <DATABASE_ID>
CHEM008980

> <DATABASE_NAME>
chemdb

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

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

> <INCHI_KEY>
FYDKNKUEBJQCCN-UHFFFAOYSA-N

> <FORMULA>
LaN3O9

> <MOLECULAR_WEIGHT>
324.917

> <EXACT_MASS>
324.86981

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
3.239762129889275

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lanthanum(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>
-1.3999999999999995

> <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>
lanthanum(3+) ion trinitrate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Lanthanum(III) nitrate

> <CAS>
10099-59-9

> <SYNONYMS>
Lanthanum(III) nitrate hexahydrate

$$$$