Molecule
ID:101812
General Information
Molecular Formula
C₇H₅IO₂
Molecular Mass
248.01787
Exact Mass
247.9334274
Charge
0
InChI
InChI=1S/C7H5IO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H
InChIKey
JRJRYFRHGBHRHI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(O)ccc1I
Isomeric Smiles
c1(c(ccc(c1)O)I)C=O
Calculated Properties
JChem
Acid pKa
8.527443
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3107224
LogD (pH = 7.4)
2.2801025
Log P
2.3111274
Molar Refractivity
47.9854
Polarizability
18.125998
Polar Surface Area
37.3
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
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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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