Molecule

ID:75414

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁IO₂
Molecular Mass
326.12971
Exact Mass
325.98037759
Charge
0
InChI
InChI=1S/C13H11IO2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h2-9H,1H3
InChIKey
SGURKGRRNWCMQJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Oc1ccc(cc1)I
Isomeric Smiles
O(c1ccc(cc1)OC)c1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2448063
LogD (pH = 7.4)
4.2448063
Log P
4.2448063
Molar Refractivity
72.1245
Polarizability
28.221985
Polar Surface Area
18.46
Rotatable Bonds
3
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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