Molecule

ID:43869

General Information
Structure
Molecular Formula
C₁₁H₁₀FNO₂S
Molecular Mass
239.2660032
Exact Mass
239.04162779
Charge
0
InChI
InChI=1S/C11H10FNO2S/c12-8-3-1-7(2-4-8)9-5-16-6-10(13-9)11(14)15/h1-5,10,13H,6H2,(H,14,15)
InChIKey
HSZMBOXVDGPRRJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CSC=C(N1)c1ccc(cc1)F
Isomeric Smiles
N1C(C(=O)O)CSC=C1c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
1.349793
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0743073
LogD (pH = 7.4)
-1.2149073
Log P
-1.0728585
Molar Refractivity
61.1983
Polarizability
23.068733
Polar Surface Area
49.33
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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