Molecule

ID:108850

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂
Molecular Mass
217.13486
Exact Mass
216.04725581
Charge
0
InChI
InChI=1S/C11H14Cl2/c1-8-3-9(2)5-10(4-8)11(6-12)7-13/h3-5,11H,6-7H2,1-2H3
InChIKey
PTOMCDOYKAMTPM-UHFFFAOYSA-N
Canonic Smiles
ClCC(c1cc(C)cc(c1)C)CCl
Isomeric Smiles
Cc1cc(cc(C)c1)C(CCl)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2004347
LogD (pH = 7.4)
4.2004347
Log P
4.2004347
Molar Refractivity
60.1148
Polarizability
22.93328
Polar Surface Area
0.0
Rotatable Bonds
3
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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