Molecule

ID:62558

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃NO₃
Molecular Mass
261.1972096
Exact Mass
261.06127785
Charge
0
InChI
InChI=1S/C11H10F3NO3/c12-11(13,14)10(18)15-8(6-9(16)17)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,18)(H,16,17)
InChIKey
SFOGCHRKQFVQON-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1ccccc1)NC(=O)C(F)(F)F
Isomeric Smiles
C(C(=O)NC(CC(=O)O)c1ccccc1)(F)(F)F
Calculated Properties
JChem
Acid pKa
4.165854
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.33187237
LogD (pH = 7.4)
-1.9788225
Log P
1.8249526
Molar Refractivity
55.4396
Polarizability
20.800758
Polar Surface Area
66.4
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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