Molecule

ID:37334

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClFO₃
Molecular Mass
280.6788032
Exact Mass
280.03025008
Charge
0
InChI
InChI=1S/C14H10ClFO3/c15-10-4-5-13(12(7-10)14(17)18)19-8-9-2-1-3-11(16)6-9/h1-7H,8H2,(H,17,18)
InChIKey
YPQYZGILZDOKRT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)O)OCc1cccc(c1)F
Isomeric Smiles
c1(cc(c(cc1)OCc1cc(ccc1)F)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.5107234
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.963014
LogD (pH = 7.4)
0.57222193
Log P
3.9443772
Molar Refractivity
69.4112
Polarizability
26.36913
Polar Surface Area
46.53
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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