Molecule

ID:41187

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClF₃N₂O₂
Molecular Mass
294.6575096
Exact Mass
294.03828991
Charge
0
InChI
InChI=1S/C11H10ClF3N2O2/c12-7-3-1-6(2-4-7)8(5-9(16)18)17-10(19)11(13,14)15/h1-4,8H,5H2,(H2,16,18)(H,17,19)
InChIKey
YWIIDDAJCQDROM-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CC(c1ccc(cc1)Cl)NC(=O)C(F)(F)F
Isomeric Smiles
C(=O)(NC(CC(=O)N)c1ccc(cc1)Cl)C(F)(F)F
Calculated Properties
JChem
Acid pKa
4.951378
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.1124605
LogD (pH = 7.4)
0.69091535
Log P
1.6220547
Molar Refractivity
62.0666
Polarizability
23.400597
Polar Surface Area
72.19
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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