Molecule

ID:56764

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Cl₂O₂
Molecular Mass
261.14436
Exact Mass
260.03708505
Charge
0
InChI
InChI=1S/C12H14Cl2O2/c1-7-5-9(6-8(2)10(7)13)16-12(3,4)11(14)15/h5-6H,1-4H3
InChIKey
PAESUTRXEQZHQR-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1cc(C)c(c(c1)C)Cl)(C)C
Isomeric Smiles
C(C(=O)Cl)(Oc1cc(c(c(c1)C)Cl)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4593053
LogD (pH = 7.4)
4.4593053
Log P
4.4593053
Molar Refractivity
66.5587
Polarizability
25.733828
Polar Surface Area
26.3
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
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References
Bioactivity
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