Molecule

ID:62302

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁F₃N₂O₂
Molecular Mass
260.2124496
Exact Mass
260.07726226
Charge
0
InChI
InChI=1S/C11H11F3N2O2/c12-11(13,14)8-2-1-4-15-9(8)16-5-3-7(6-16)10(17)18/h1-2,4,7H,3,5-6H2,(H,17,18)
InChIKey
JBQVIFVLERADRW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN(C1)c1ncccc1C(F)(F)F
Isomeric Smiles
c1(N2CC(C(=O)O)CC2)c(C(F)(F)F)cccn1
Calculated Properties
JChem
Acid pKa
3.8459194
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.44555566
LogD (pH = 7.4)
-0.9684828
Log P
0.62125546
Molar Refractivity
58.2438
Polarizability
20.914804
Polar Surface Area
53.43
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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