Molecule
ID:121903
General Information
Molecular Formula
C₁₁H₁₂F₃NO₃
Molecular Mass
263.2130896
Exact Mass
263.07692791
Charge
0
InChI
InChI=1S/C11H12F3NO3/c1-2-18-9(16)10(17,11(12,13)14)7-3-5-8(15)6-4-7/h3-6,17H,2,15H2,1H3
InChIKey
NZXUVJRQYCFDKD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(F)(F)F)(c1ccc(cc1)N)O
Isomeric Smiles
C(C(F)(F)F)(C(=O)OCC)(c1ccc(N)cc1)O
Calculated Properties
JChem
Acid pKa
8.471176
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.5908635
LogD (pH = 7.4)
1.565197
Log P
1.6006659
Molar Refractivity
58.3367
Polarizability
21.54369
Polar Surface Area
72.55
Rotatable Bonds
5
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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