Molecule

ID:71484

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₃N₄OS
Molecular Mass
290.2648696
Exact Mass
290.04491659
Charge
0
InChI
InChI=1S/C10H9F3N4OS/c11-10(12,13)18-7-4-2-1-3-6(7)5-8-15-16-9(19)17(8)14/h1-4H,5,14H2,(H,16,19)
InChIKey
XJSWETQSHYGHDG-UHFFFAOYSA-N
Canonic Smiles
Nn1c(nnc1S)Cc1ccccc1OC(F)(F)F
Isomeric Smiles
n1nc(n(c1Cc1ccccc1OC(F)(F)F)N)S
Calculated Properties
JChem
Acid pKa
6.901708
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.0783758
LogD (pH = 7.4)
1.5251235
Log P
2.0946984
Molar Refractivity
64.8398
Polarizability
23.816576
Polar Surface Area
65.96
Rotatable Bonds
4
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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