Molecule

ID:36190

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂O₂S
Molecular Mass
276.2349896
Exact Mass
276.01803313
Charge
0
InChI
InChI=1S/C10H7F3N2O2S/c1-3-2-4(10(11,12)13)15-8-5(3)6(14)7(18-8)9(16)17/h2H,14H2,1H3,(H,16,17)
InChIKey
QGWVLKTUYSPSLF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1sc2c(c1N)c(C)cc(n2)C(F)(F)F
Isomeric Smiles
c1(c(c2c(s1)nc(C(F)(F)F)cc2C)N)C(=O)O
Calculated Properties
JChem
Acid pKa
4.0927453
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.9666085
LogD (pH = 7.4)
0.28379142
Log P
3.387277
Molar Refractivity
59.5774
Polarizability
21.58961
Polar Surface Area
76.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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