Molecule

ID:76150

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₃
Molecular Mass
181.44702
Exact Mass
179.93003314
Charge
0
InChI
InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
PBKONEOXTCPAFI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)Cl
Isomeric Smiles
Clc1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.78538
LogD (pH = 7.4)
3.78538
Log P
3.78538
Molar Refractivity
40.4724
Polarizability
16.042183
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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