Molecule

ID:8316

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉IO
Molecular Mass
296.10373
Exact Mass
295.96981291
Charge
0
InChI
InChI=1S/C12H9IO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKey
BDKOUDYNKRCDEC-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)Oc1ccccc1
Isomeric Smiles
c1ccc(Oc2ccc(cc2)I)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4024773
LogD (pH = 7.4)
4.4024773
Log P
4.4024773
Molar Refractivity
65.6613
Polarizability
25.667051
Polar Surface Area
9.23
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
No Data Available
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Molecule Details
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References
Bioactivity
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