Molecule

ID:75413

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClIO
Molecular Mass
330.54879
Exact Mass
329.93084056
Charge
0
InChI
InChI=1S/C12H8ClIO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKey
TVALFKNJYMGMJE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Oc1ccc(cc1)I
Isomeric Smiles
O(c1ccc(cc1)Cl)c1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.006522
LogD (pH = 7.4)
5.006522
Log P
5.006522
Molar Refractivity
70.4661
Polarizability
27.6116
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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