Molecule

ID:59379

General Information
Structure
MolImage
Molecular Formula
C₇H₅IO₂
Molecular Mass
248.01787
Exact Mass
247.9334274
Charge
0
InChI
InChI=1S/C7H5IO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
InChIKey
PDFVIWFKGYODKD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(I)ccc1O
Isomeric Smiles
c1(ccc(c(c1)C=O)O)I
Calculated Properties
JChem
Acid pKa
7.9735036
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9596806
LogD (pH = 7.4)
2.8591995
Log P
2.9611273
Molar Refractivity
47.9854
Polarizability
18.124277
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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