Molecule

ID:125714

General Information
Structure
MolImage
Molecular Formula
C₆H₆Cl₆
Molecular Mass
290.82984
Exact Mass
287.86006627
Charge
0
InChI
InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m0/s1
InChIKey
JLYXXMFPNIAWKQ-LKPKBOIGSA-N
Canonic Smiles
Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@@H]([C@H]([C@H]1Cl)Cl)Cl
Isomeric Smiles
Cl[C@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3455415
LogD (pH = 7.4)
4.3455415
Log P
4.3455415
Molar Refractivity
54.081
Polarizability
22.464584
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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