Mrv2304 08092317052D          

 22  9  0  0  0  0            999 V2000
   -4.7142    2.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3571    2.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    2.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7142    1.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3571    1.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    1.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7142   -1.7214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2964   -0.5783    0.0000 Ga  0  1  0  0  0  0  0  0  0  0  0  0
   -1.7089   -1.2927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1214   -2.0072    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7089   -2.7216    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.9464   -2.0072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7089   -1.0069    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2964   -1.7214    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.7089   -2.4359    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4714   -1.7214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7142   -1.0069    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3017   -1.7214    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7142   -2.4359    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4767   -1.7214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  CHG  8  10   3  11  -1  12   1  13  -1  15  -1  16   1  17  -1  19  -1
M  CHG  2  20   1  21  -1
M  END
> <DATABASE_ID>
DBSALT001854

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/Ga.3NO3.9H2O/c;3*2-1(3)4;;;;;;;;;/h;;;;9*1H2/q+3;3*-1;;;;;;;;;

> <INCHI_KEY>
GOMSPTBXILHTSG-UHFFFAOYSA-N

> <FORMULA>
GaH18N3O18

> <MOLECULAR_WEIGHT>
417.87

> <EXACT_MASS>
416.98411

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
3.275441232355817

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
gallium(3+) nonahydrate trinitrate

> <JCHEM_LOGP>
-2.574421943

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_BASIC>
-9.93762264919614

> <JCHEM_POLAR_SURFACE_AREA>
66.19999999999999

> <JCHEM_REFRACTIVITY>
8.3471

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
gallium(3+) nonahydrate trinitrate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001854

> <NAME>
Gallium nitrate nonahydrate

> <DRUG_DRUGBANK_ID>
DB05260

> <DRUG_NAME>
Gallium nitrate

> <CAS_NUMBER>
135886-70-3

> <UNII>
VRA0C6810N

$$$$