Molecule

ID:314

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
InChIKey
JLYXXMFPNIAWKQ-UHFFFAOYSA-N
Canonic Smiles
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl
Isomeric Smiles
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
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
ALOGPS 2.1
Log P
3.94
LOG S
-4.73
Solubility (Water)
5.47e-03 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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