Molecule
ID:120354
General Information
Molecular Formula
C₁₂H₁₄F₃NO₃
Molecular Mass
277.2396696
Exact Mass
277.09257797
Charge
0
InChI
InChI=1S/C12H14F3NO3/c1-3-19-10(17)11(18,12(13,14)15)8-4-6-9(16-2)7-5-8/h4-7,16,18H,3H2,1-2H3
InChIKey
GELXZAHYNHINRB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(F)(F)F)(c1ccc(cc1)NC)O
Isomeric Smiles
C(C(F)(F)F)(C(=O)OCC)(c1ccc(NC)cc1)O
Calculated Properties
JChem
Acid pKa
8.468524
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.852035
LogD (pH = 7.4)
1.8661249
Log P
1.90237
Molar Refractivity
63.8301
Polarizability
23.338667
Polar Surface Area
58.56
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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