Molecule

ID:89846

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂Cl₂O₂
Molecular Mass
247.11778
Exact Mass
246.02143498
Charge
0
InChI
InChI=1S/C11H12Cl2O2/c1-7-9(5-12)3-11(15-8(2)14)4-10(7)6-13/h3-4H,5-6H2,1-2H3
InChIKey
FVGIYXWNCQREFF-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(OC(=O)C)cc(c1C)CCl
Isomeric Smiles
ClCc1c(c(cc(c1)OC(=O)C)CCl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2684124
LogD (pH = 7.4)
3.2684124
Log P
3.2684124
Molar Refractivity
61.9654
Polarizability
23.888046
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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