Molecule

ID:37258

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClFO₃
Molecular Mass
280.6788032
Exact Mass
280.03025008
Charge
0
InChI
InChI=1S/C14H10ClFO3/c15-12-7-10(16)6-5-9(12)8-19-13-4-2-1-3-11(13)14(17)18/h1-7H,8H2,(H,17,18)
InChIKey
NHKDSLBPQUOAMQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)COc1ccccc1C(=O)O
Isomeric Smiles
c1cc(c(cc1)OCc1ccc(cc1Cl)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7104702
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1556857
LogD (pH = 7.4)
0.64315224
Log P
3.9443772
Molar Refractivity
69.4112
Polarizability
26.381105
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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