Mrv0541 02231218072D          

 13  9  0  0  0  0            999 V2000
    3.5872    0.4125    0.0000 Ga  0  1  0  0  0  0  0  0  0  0  0  0
    1.4290    1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5079    3.7125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0790    3.7125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4290    4.1250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.8250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7934    3.3000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7144    3.7125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
M  CHG  8   1   3   2  -1   3  -1   4  -1   5  -1   6  -1   7  -1  11   1
M  CHG  2  12   1  13   1
M  END
> <DATABASE_ID>
DB05260

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
InChIKey=CHPZKNULDCNCBW-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
3.239762129889275

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
254.889034525

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
GaN3O9

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
gallium(3+) ion tris(nitrooxidane)

> <JCHEM_LOGP>
0.02841376366666668

> <JCHEM_MASS>
255.738

> <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>
gallium(3+) ion tris(nitrooxidane)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB05260

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Gallium nitrate

> <BRANDS>
Ganite

$$$$