Molecule

ID:97084

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉Cl₂FO₃
Molecular Mass
279.0917632
Exact Mass
277.99127773
Charge
0
InChI
InChI=1S/C11H9Cl2FO3/c1-2-17-11(16)5-10(15)6-3-9(14)8(13)4-7(6)12/h3-4H,2,5H2,1H3
InChIKey
POKPUCWXUHWGMX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(=O)c1cc(F)c(cc1Cl)Cl
Isomeric Smiles
Clc1c(cc(c(c1)Cl)F)C(=O)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
5.7730484
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0911465
LogD (pH = 7.4)
1.651406
Log P
3.2766151
Molar Refractivity
62.1486
Polarizability
24.038464
Polar Surface Area
43.37
Rotatable Bonds
5
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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