Molecule

ID:39601

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClF₃N₂O₂
Molecular Mass
282.6468096
Exact Mass
282.03828991
Charge
0
InChI
InChI=1S/C10H10ClF3N2O2/c1-2-18-8(17)5-16-9-7(11)3-6(4-15-9)10(12,13)14/h3-4H,2,5H2,1H3,(H,15,16)
InChIKey
OYEGHBUYBPRZRE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNc1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(cc(c(nc1)NCC(=O)OCC)Cl)C(F)(F)F
Calculated Properties
JChem
Acid pKa
19.662842
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2853787
LogD (pH = 7.4)
2.2853875
Log P
2.2853875
Molar Refractivity
60.7892
Polarizability
22.04237
Polar Surface Area
51.22
Rotatable Bonds
6
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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