Molecule

ID:123627

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₃O₃S
Molecular Mass
266.2368696
Exact Mass
266.02244981
Charge
0
InChI
InChI=1S/C10H9F3O3S/c11-10(12,13)16-8-3-1-7(2-4-8)5-17-6-9(14)15/h1-4H,5-6H2,(H,14,15)
InChIKey
IZUKBDRGSSLVQT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CSCc1ccc(cc1)OC(F)(F)F
Isomeric Smiles
C(Oc1ccc(cc1)CSCC(=O)O)(F)(F)F
Calculated Properties
JChem
Acid pKa
3.7519324
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6934046
LogD (pH = 7.4)
0.15823634
Log P
3.4420357
Molar Refractivity
52.856
Polarizability
21.450153
Polar Surface Area
46.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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