Molecule

ID:94649

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClF₃N₂O₂
Molecular Mass
280.6309296
Exact Mass
280.02263985
Charge
0
InChI
InChI=1S/C10H8ClF3N2O2/c11-9-15-3-6(7(16-9)10(12,13)14)8(17)18-4-5-1-2-5/h3,5H,1-2,4H2
InChIKey
VAQJVLCEIMTYHZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)C(F)(F)F)C(=O)OCC1CC1
Isomeric Smiles
n1c(c(cnc1Cl)C(=O)OCC1CC1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.006039
LogD (pH = 7.4)
3.006039
Log P
3.006039
Molar Refractivity
57.7899
Polarizability
21.29207
Polar Surface Area
52.08
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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