Molecule

ID:112085

General Information
Structure
MolImage
Molecular Formula
C₈H₆Cl₄
Molecular Mass
243.94524
Exact Mass
241.92236091
Charge
0
InChI
InChI=1S/C8H6Cl4/c1-3-5(9)4(2)7(11)8(12)6(3)10/h1-2H3
InChIKey
NTUBJKOTTSFEEV-UHFFFAOYSA-N
Canonic Smiles
Cc1c(Cl)c(C)c(c(c1Cl)Cl)Cl
Isomeric Smiles
Cc1c(Cl)c(Cl)c(Cl)c(C)c1Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.4162674
LogD (pH = 7.4)
5.4162674
Log P
5.4162674
Molar Refractivity
55.3596
Polarizability
21.517744
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation