Molecule

ID:22212

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉F₃N₂O₂
Molecular Mass
258.1965696
Exact Mass
258.0616122
Charge
0
InChI
InChI=1S/C11H9F3N2O2/c1-2-18-10(17)8-9(11(12,13)14)15-7-5-3-4-6-16(7)8/h3-6H,2H2,1H3
InChIKey
ISALURNCDIZZRJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1n2ccccc2nc1C(F)(F)F
Isomeric Smiles
c1cccn2c1nc(c2C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3034093
LogD (pH = 7.4)
2.3035326
Log P
2.3035343
Molar Refractivity
58.1895
Polarizability
20.8713
Polar Surface Area
43.6
Rotatable Bonds
4
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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