Molecule

ID:75407

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClI
Molecular Mass
314.54939
Exact Mass
313.93592594
Charge
0
InChI
InChI=1S/C12H8ClI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKey
HCHAMYGZDLHKMD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1ccc(cc1)I
Isomeric Smiles
Ic1ccc(cc1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.1534605
LogD (pH = 7.4)
5.1534605
Log P
5.1534605
Molar Refractivity
69.3615
Polarizability
28.090221
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
false
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
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References
Bioactivity
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