Mrv1652306231722372D          

 31 12  0  0  0  0            999 V2000
    0.1375    0.2382    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5500    0.9526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.4763    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.2382    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2054    0.2382    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6179    0.9526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6179   -0.4763    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3804    0.2382    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.2732    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.6857   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4482    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.6857    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.7500   -0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.1625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.9250   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.8408    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1196   -2.8408    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2393   -2.8408    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3589   -2.8408    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.4908    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1196   -4.4908    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2393   -4.4908    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3589   -4.4908    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.1408    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1196   -6.1408    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.9625   -1.1908    0.0000 Bi  0  1  0  0  0  0  0  0  0  0  0  0
   -1.5125    0.2382    0.0000 Bi  0  1  0  0  0  0  0  0  0  0  0  0
    6.0304   -1.1908    0.0000 Bi  0  1  0  0  0  0  0  0  0  0  0  0
    3.5554    0.2382    0.0000 Bi  0  1  0  0  0  0  0  0  0  0  0  0
    8.6232    0.0000    0.0000 Bi  0  1  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  8   1   1   3  -1   4  -1   5   1   7  -1   8  -1   9   1  11  -1
M  CHG  8  12  -1  13   1  15  -1  16  -1  17  -1  18  -1  19  -1  20  -1
M  CHG  8  21  -1  22  -1  23  -1  24  -1  25  -1  26  -2  27   3  28   3
M  CHG  3  29   3  30   3  31   3
M  END
> <DATABASE_ID>
DB13209

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/5Bi.4NO3.9H2O.O/c;;;;;4*2-1(3)4;;;;;;;;;;/h;;;;;;;;;9*1H2;/q5*+3;4*-1;;;;;;;;;;-2/p-9

> <INCHI_KEY>
QGWDKKHSDXWPET-UHFFFAOYSA-E

> <FORMULA>
Bi5H9N4O22

> <MOLECULAR_WEIGHT>
1461.98

> <EXACT_MASS>
1461.87284

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
3.275441232355818

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pentabismuth(3+) ion nonahydroxide tetranitrate oxidandiide

> <JCHEM_LOGP>
0.8368003898615884

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_BASIC>
-9.93762264919614

> <JCHEM_POLAR_SURFACE_AREA>
66.2

> <JCHEM_REFRACTIVITY>
8.3471

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
pentabismuth(3+) ion nonahydroxide tetranitrate oxidandiide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13209

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Bismuth subnitrate

> <SYNONYMS>
Bismuth hydroxide nitrate oxide; Bismuth nitrate, basic; Bismuth subnitrate; Bismuthum subnitricum

> <PRODUCTS>
Hemorro-dol Sup

$$$$