Molecule

ID:60816

General Information
Structure
MolImage
Molecular Formula
C₈H₈FNOS
Molecular Mass
185.2186232
Exact Mass
185.0310631
Charge
0
InChI
InChI=1S/C8H8FNOS/c9-6-3-1-2-4-7(6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)
InChIKey
MNAXYMUIFJTWNH-UHFFFAOYSA-N
Canonic Smiles
SCC(=O)Nc1ccccc1F
Isomeric Smiles
N(c1c(F)cccc1)C(=O)CS
Calculated Properties
JChem
Acid pKa
9.444721
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.5801778
LogD (pH = 7.4)
1.5766044
Log P
1.5802236
Molar Refractivity
48.9666
Polarizability
17.960512
Polar Surface Area
29.1
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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