Molecule

ID:89563

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClO₃
Molecular Mass
260.67246
Exact Mass
260.02402183
Charge
0
InChI
InChI=1S/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
InChIKey
YWECCEXWKFHHQJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)c1ccccc1C(=O)O
Isomeric Smiles
O=C(c1c(cccc1)C(=O)c1ccc(cc1)Cl)O
Calculated Properties
JChem
Acid pKa
3.469904
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6736373
LogD (pH = 7.4)
0.31006944
Log P
3.6942265
Molar Refractivity
68.6945
Polarizability
26.185797
Polar Surface Area
54.37
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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