Mrv1652306131722052D          

  8  3  0  0  0  0            999 V2000
    0.1375    0.2382    0.0000 C   0  0  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
    3.3196    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.8408    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
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  CHG  6   3  -1   4  -1   5  -2   6  -2   7   3   8   3
M  END
> <DATABASE_ID>
DB11281

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/CH2O3.2Bi.2O/c2-1(3)4;;;;/h(H2,2,3,4);;;;/q;2*+3;2*-2/p-2

> <INCHI_KEY>
FWIZHMQARNODNX-UHFFFAOYSA-L

> <FORMULA>
CBi2O5

> <MOLECULAR_WEIGHT>
509.967

> <EXACT_MASS>
509.93537

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
3.5154552300033055

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dibismuth(3+) ion carbonate dioxidandiide

> <ALOGPS_LOGP>
-0.25

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
-0.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.638414228618222

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.052541895520343

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
31.172400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.04e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dibismuth(3+) ion carbonate dioxidandiide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11281

> <DRUG_GROUPS>
experimental; vet_approved

> <GENERIC_NAME>
Bismuth subcarbonate

> <SYNONYMS>
2,4-Dioxa-1,5-dibismapentane, 1,3,5-trioxo-; Bismuth carbonate; Bismuth oxycarbonate; Bismuth subcarbonate; Bismuthyl carbonate

> <PRODUCTS>
Estomarol; Hemorro-dol Sup; Sha-lem

$$$$