Molecule

ID:112049

General Information
Structure
MolImage
Molecular Formula
C₇H₅BiO₆
Molecular Mass
394.0914
Exact Mass
393.98901088
Charge
0
InChI
InChI=1S/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+3;/p-3
InChIKey
JAONZGLTYYUPCT-UHFFFAOYSA-K
Canonic Smiles
O[Bi]1Oc2c(O1)cc(cc2O)C(=O)O
Isomeric Smiles
O[Bi]1Oc2c(O1)c(O)cc(c2)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.92
LogD (pH = 5.5)
-1.03
Log P
0.55
Rotatable Bonds
1
H Donor
3
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
3.93
Polar Surface Area
96.22
Polarizability
17.90
Molar Refractivity
39.39
LOG S
-0.41
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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