Molecule
ID:113331
General Information
Molecular Formula
C₅H₃IO₃
Molecular Mass
237.97999
Exact Mass
237.91269196
Charge
0
InChI
InChI=1S/C5H3IO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChIKey
UKRYIKCRRFOEOD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)I
Isomeric Smiles
c1(oc(cc1)I)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1006157
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.77235955
LogD (pH = 7.4)
-1.9116843
Log P
1.6016756
Molar Refractivity
37.3665
Polarizability
15.270915
Polar Surface Area
50.44
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
No Data Available
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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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