Molecule

ID:108759

General Information
Structure
MolImage
Molecular Formula
C₇H₆BiIO₆
Molecular Mass
522.00381
Exact Mass
521.90130891
Charge
0
InChI
InChI=1S/C7H6O5.Bi.HI.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;/h1-2,8-10H,(H,11,12);;1H;1H2/q;+3;;/p-3
InChIKey
UODGKBVALXDDPO-UHFFFAOYSA-K
Canonic Smiles
[O-]C(=O)c1cc(O)c(c(c1)O)O.[OH-].[I-].[Bi+3]
Isomeric Smiles
[OH-].[I-].[Bi+3].Oc1cc(cc(O)c1O)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
3.941564
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.8456376
LogD (pH = 7.4)
-2.480753
Log P
0.72013277
Molar Refractivity
50.093998
Polarizability
14.560103
Polar Surface Area
100.82
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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