Molecule

ID:41315

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃NO₃S
Molecular Mass
293.2622096
Exact Mass
293.03334885
Charge
0
InChI
InChI=1S/C11H10F3NO3S/c12-11(13,14)7-2-1-3-8(4-7)15-9(16)5-19-6-10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)
InChIKey
IJHVISSLZSLQOZ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1)C(F)(F)F)CSCC(=O)O
Isomeric Smiles
c1(cc(NC(=O)CSCC(=O)O)ccc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.6387324
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.0110494485
LogD (pH = 7.4)
-1.4600996
Log P
1.8690287
Molar Refractivity
65.6071
Polarizability
23.820713
Polar Surface Area
66.4
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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