Molecule

ID:99267

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₆
Molecular Mass
312.83536
Exact Mass
309.84441621
Charge
0
InChI
InChI=1S/C8H4Cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
InChIKey
OTEKOJQFKOIXMU-UHFFFAOYSA-N
Canonic Smiles
ClC(c1ccc(cc1)C(Cl)(Cl)Cl)(Cl)Cl
Isomeric Smiles
ClC(c1ccc(cc1)C(Cl)(Cl)Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9690623
LogD (pH = 7.4)
4.9690623
Log P
4.9690623
Molar Refractivity
67.0142
Polarizability
25.33148
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
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