Molecule

ID:118673

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀FNO₂S
Molecular Mass
263.2874032
Exact Mass
263.04162779
Charge
0
InChI
InChI=1S/C13H10FNO2S/c14-10-5-3-9(4-6-10)8-18-12-11(13(16)17)2-1-7-15-12/h1-7H,8H2,(H,16,17)
InChIKey
NKKMJXDCMFNXOS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CSc1ncccc1C(=O)O
Isomeric Smiles
c1(c(SCc2ccc(F)cc2)nccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6972392
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5553889
LogD (pH = 7.4)
0.07580931
Log P
3.25142
Molar Refractivity
69.1079
Polarizability
25.945671
Polar Surface Area
50.19
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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