Molecule

ID:26464

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂FNO₂S
Molecular Mass
265.3032832
Exact Mass
265.05727785
Charge
0
InChI
InChI=1S/C13H12FNO2S/c1-7-10(8-3-5-9(14)6-4-8)11(12(15)18-7)13(16)17-2/h3-6H,15H2,1-2H3
InChIKey
KJVWDTHDCCQDFM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(N)sc(c1c1ccc(cc1)F)C
Isomeric Smiles
c1(c(sc(c1c1ccc(cc1)F)C)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
18.516804
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1800227
LogD (pH = 7.4)
4.1800227
Log P
4.1800227
Molar Refractivity
69.4583
Polarizability
26.925238
Polar Surface Area
52.32
Rotatable Bonds
3
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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