Molecule

ID:108210

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂Cl₂
Molecular Mass
155.06548
Exact Mass
154.03160574
Charge
0
InChI
InChI=1S/C6H12Cl2/c1-6(2-4-7)3-5-8/h6H,2-5H2,1H3
InChIKey
ITPYJYKCTJIIJW-UHFFFAOYSA-N
Canonic Smiles
ClCCC(CCCl)C
Isomeric Smiles
CC(CCCl)CCCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8094149
LogD (pH = 7.4)
2.8094149
Log P
2.8094149
Molar Refractivity
39.3152
Polarizability
15.443751
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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