Molecule
ID:43294
General Information
Molecular Formula
C₅H₄INO₂
Molecular Mass
236.99523
Exact Mass
236.92867637
Charge
0
InChI
InChI=1S/C5H4INO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChIKey
PGSPYCIHODWVMJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(c[nH]1)I
Isomeric Smiles
c1(cc(c[nH]1)I)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5981712
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.33746338
LogD (pH = 7.4)
-1.7840178
Log P
1.5596584
Molar Refractivity
41.313
Polarizability
15.875057
Polar Surface Area
53.09
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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