Molecule

ID:60305

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁F₃N₂O₂
Molecular Mass
236.1910496
Exact Mass
236.07726226
Charge
0
InChI
InChI=1S/C9H11F3N2O2/c1-3-16-8(15)5-14-6(2)4-7(13-14)9(10,11)12/h4H,3,5H2,1-2H3
InChIKey
OYQJSLHHRPECLL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1nc(cc1C)C(F)(F)F
Isomeric Smiles
n1(c(cc(n1)C(F)(F)F)C)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8450484
LogD (pH = 7.4)
1.8450513
Log P
1.8450513
Molar Refractivity
61.3151
Polarizability
18.442293
Polar Surface Area
44.12
Rotatable Bonds
5
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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