Molecule

ID:8327

General Information
Structure
Molecular Formula
C₁₃H₁₁F₃N₂O₂
Molecular Mass
284.2338496
Exact Mass
284.07726226
Charge
0
InChI
InChI=1S/C13H11F3N2O2/c1-2-20-12(19)10-8-17-18(11(10)13(14,15)16)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
ZJGRCTISRZQYRY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn(c1C(F)(F)F)c1ccccc1
Isomeric Smiles
c1cccc(c1)n1c(c(cn1)C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2171977
LogD (pH = 7.4)
3.2171988
Log P
3.2171988
Molar Refractivity
67.0448
Polarizability
24.81908
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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