Molecule

ID:7188

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClIO
Molecular Mass
268.47941
Exact Mass
267.91519049
Charge
0
InChI
InChI=1S/C7H6ClIO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey
CXXXAGIYCFOGHA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1I)Cl
Isomeric Smiles
c1c(c(ccc1Cl)OC)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3485637
LogD (pH = 7.4)
3.3485637
Log P
3.3485637
Molar Refractivity
50.6885
Polarizability
20.00144
Polar Surface Area
9.23
Rotatable Bonds
1
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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