Molecule

ID:50293

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁FO₃
Molecular Mass
246.2337432
Exact Mass
246.06922243
Charge
0
InChI
InChI=1S/C14H11FO3/c15-11-5-3-6-12(8-11)18-9-10-4-1-2-7-13(10)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey
MRHZIOQBQSNKPJ-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)OCc1ccccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(COc2cc(F)ccc2)cccc1)O
Calculated Properties
JChem
Acid pKa
3.7121725
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.553286
LogD (pH = 7.4)
0.039804216
Log P
3.3403325
Molar Refractivity
64.6064
Polarizability
24.444878
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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