Molecule

ID:40142

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅F₃N₂O₂
Molecular Mass
264.2442096
Exact Mass
264.10856239
Charge
0
InChI
InChI=1S/C11H15F3N2O2/c1-5-18-9(17)7-6-15-16(10(2,3)4)8(7)11(12,13)14/h6H,5H2,1-4H3
InChIKey
SBLLZGMBYZIVGM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn(c1C(F)(F)F)C(C)(C)C
Isomeric Smiles
n1(ncc(c1C(F)(F)F)C(=O)OCC)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6131978
LogD (pH = 7.4)
2.6132
Log P
2.6132
Molar Refractivity
71.3921
Polarizability
21.999569
Polar Surface Area
44.12
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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