Molecule

ID:87933

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂
Molecular Mass
161.02854
Exact Mass
159.98465555
Charge
0
InChI
InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChIKey
FUNUTBJJKQIVSY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)C
Isomeric Smiles
Clc1c(ccc(c1)Cl)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6947565
LogD (pH = 7.4)
3.6947565
Log P
3.6947565
Molar Refractivity
40.7088
Polarizability
15.832515
Polar Surface Area
0.0
Rotatable Bonds
0
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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