Molecule

ID:26485

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆FNO₂S
Molecular Mass
293.3564432
Exact Mass
293.08857798
Charge
0
InChI
InChI=1S/C15H16FNO2S/c1-3-8-19-15(18)13-12(9(2)20-14(13)17)10-4-6-11(16)7-5-10/h4-7H,3,8,17H2,1-2H3
InChIKey
FXGXRTHCCVOXTH-UHFFFAOYSA-N
Canonic Smiles
CCCOC(=O)c1c(N)sc(c1c1ccc(cc1)F)C
Isomeric Smiles
c1(c(sc(c1c1ccc(cc1)F)C)N)C(=O)OCCC
Calculated Properties
JChem
Acid pKa
18.508677
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.0593534
LogD (pH = 7.4)
5.0593534
Log P
5.0593534
Molar Refractivity
78.7309
Polarizability
30.597767
Polar Surface Area
52.32
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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