Molecule

ID:56732

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Cl₂O₂
Molecular Mass
261.14436
Exact Mass
260.03708505
Charge
0
InChI
InChI=1S/C12H14Cl2O2/c1-4-10(12(14)15)16-9-5-7(2)11(13)8(3)6-9/h5-6,10H,4H2,1-3H3
InChIKey
JKCIJGYBSVRRHU-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Cl)Oc1cc(C)c(c(c1)C)Cl
Isomeric Smiles
c1(c(cc(OC(C(=O)Cl)CC)cc1C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.549062
LogD (pH = 7.4)
4.549062
Log P
4.549062
Molar Refractivity
66.3694
Polarizability
25.733652
Polar Surface Area
26.3
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
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Molecule Details
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References
Bioactivity
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