Molecule

ID:36189

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)5-6(14)7(9(16)17)18-8(5)15-3/h2H,14H2,1H3,(H,16,17)
InChIKey
SWVQIDPOEAYPAU-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2sc(c(c2c(c1)C(F)(F)F)N)C(=O)O
Isomeric Smiles
c1(c(c2c(s1)nc(cc2C(F)(F)F)C)N)C(=O)O
Calculated Properties
JChem
Acid pKa
4.0914927
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1974409
LogD (pH = 7.4)
-0.4849363
Log P
2.6193752
Molar Refractivity
59.4997
Polarizability
21.593315
Polar Surface Area
76.21
Rotatable Bonds
2
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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