Molecule

ID:96342

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂F₃NO₃
Molecular Mass
263.2130896
Exact Mass
263.07692791
Charge
0
InChI
InChI=1S/C11H12F3NO3/c1-2-17-10(16)7-15-8-3-5-9(6-4-8)18-11(12,13)14/h3-6,15H,2,7H2,1H3
InChIKey
FNHJUHOZXLJSJE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNc1ccc(cc1)OC(F)(F)F
Isomeric Smiles
O(c1ccc(cc1)NCC(=O)OCC)C(F)(F)F
Calculated Properties
JChem
Acid pKa
17.105425
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8572147
LogD (pH = 7.4)
2.8578131
Log P
2.8578207
Molar Refractivity
54.9244
Polarizability
21.601078
Polar Surface Area
47.56
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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