Molecule

ID:9984

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉IO
Molecular Mass
308.11443
Exact Mass
307.96981291
Charge
0
InChI
InChI=1S/C13H9IO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChIKey
OCAJMURFVZWFPX-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)C(=O)c1ccccc1
Isomeric Smiles
c1cccc(c1)C(=O)c1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.361543
LogD (pH = 7.4)
4.361543
Log P
4.361543
Molar Refractivity
69.996
Polarizability
26.977541
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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