Molecule

ID:126067

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂
Molecular Mass
161.02854
Exact Mass
159.98465555
Charge
0
InChI
InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKey
CAHQGWAXKLQREW-UHFFFAOYSA-N
Canonic Smiles
ClC(c1ccccc1)Cl
Isomeric Smiles
ClC(Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2291882
LogD (pH = 7.4)
3.2291882
Log P
3.2291882
Molar Refractivity
40.979
Polarizability
15.82463
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
References
Bioactivity
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