Molecule

ID:95667

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃NO₃
Molecular Mass
261.1972096
Exact Mass
261.06127785
Charge
0
InChI
InChI=1S/C11H10F3NO3/c1-2-18-10(17)9(16)15-8-5-3-4-7(6-8)11(12,13)14/h3-6H,2H2,1H3,(H,15,16)
InChIKey
UKPJCBWVGQNZSF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)Nc1cccc(c1)C(F)(F)F
Isomeric Smiles
N(c1cccc(c1)C(F)(F)F)C(=O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.623125
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.784431
LogD (pH = 7.4)
2.7841873
Log P
2.784434
Molar Refractivity
58.2073
Polarizability
20.996904
Polar Surface Area
55.4
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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