Molecule

ID:22521

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₃N₂O₂S
Molecular Mass
280.2667496
Exact Mass
280.04933326
Charge
0
InChI
InChI=1S/C10H11F3N2O2S/c11-10(12,13)7-6(8(16)17)18-9(14-7)15-4-2-1-3-5-15/h1-5H2,(H,16,17)
InChIKey
GETINQADFJCORZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1sc(nc1C(F)(F)F)N1CCCCC1
Isomeric Smiles
s1c(nc(c1C(=O)O)C(F)(F)F)N1CCCCC1
Calculated Properties
JChem
Acid pKa
3.9179506
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7400136
LogD (pH = 7.4)
0.124190636
Log P
3.3284197
Molar Refractivity
59.9523
Polarizability
21.603294
Polar Surface Area
53.43
Rotatable Bonds
3
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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