Molecule

ID:26492

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆FNO₂S
Molecular Mass
293.3564432
Exact Mass
293.08857798
Charge
0
InChI
InChI=1S/C15H16FNO2S/c1-8(2)19-15(18)13-12(9(3)20-14(13)17)10-4-6-11(16)7-5-10/h4-8H,17H2,1-3H3
InChIKey
BMWQBRMAMOEYPZ-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)c1c(N)sc(c1c1ccc(cc1)F)C)C
Isomeric Smiles
c1(c(sc(c1c1ccc(cc1)F)C)N)C(=O)OC(C)C
Calculated Properties
JChem
Acid pKa
18.501602
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.953406
LogD (pH = 7.4)
4.953406
Log P
4.953406
Molar Refractivity
78.6257
Polarizability
30.597778
Polar Surface Area
52.32
Rotatable Bonds
4
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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