Molecule

ID:7199

General Information
Structure
Molecular Formula
C₇H₆ClI
Molecular Mass
252.48001
Exact Mass
251.92027587
Charge
0
InChI
InChI=1S/C7H6ClI/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChIKey
ZIOGCIPQDRCAKY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)I)C
Isomeric Smiles
c1cc(c(cc1Cl)I)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.019656
LogD (pH = 7.4)
4.019656
Log P
4.019656
Molar Refractivity
49.2665
Polarizability
19.157589
Polar Surface Area
0.0
Rotatable Bonds
0
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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