Molecule

ID:1146

General Information
Structure
MolImage
Molecular Formula
C₇H₅BiO₄
Molecular Mass
362.0926
Exact Mass
361.99918164
Charge
0
InChI
InChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+3;/p-3
InChIKey
ZREIPSZUJIFJNP-UHFFFAOYSA-K
Canonic Smiles
O[Bi]1OC(=O)c2c(O1)cccc2
Isomeric Smiles
c12c(O[Bi](OC1=O)O)cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
1.11
LogD (pH = 5.5)
1.11
Log P
1.11
Rotatable Bonds
0
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
15.20
Polar Surface Area
55.76
Polarizability
15.66
Molar Refractivity
35.72
LOG S
-1.03
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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