Molecule

ID:80847

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆Cl₂
Molecular Mass
231.16144
Exact Mass
230.06290587
Charge
0
InChI
InChI=1S/C12H16Cl2/c1-7-8(2)10(4)12(6-14)11(5-13)9(7)3/h5-6H2,1-4H3
InChIKey
CAFQJTNKSNWMBW-UHFFFAOYSA-N
Canonic Smiles
ClCc1c(CCl)c(C)c(c(c1C)C)C
Isomeric Smiles
ClCc1c(c(c(c(c1CCl)C)C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.2014155
LogD (pH = 7.4)
5.2014155
Log P
5.2014155
Molar Refractivity
65.9566
Polarizability
24.692406
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
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
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References
Bioactivity
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