Molecule

ID:9457

General Information
Structure
MolImage
Molecular Formula
C₉H₉FOS
Molecular Mass
184.2305632
Exact Mass
184.03581413
Charge
0
InChI
InChI=1S/C9H9FOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3
InChIKey
MKJQBSVPZYELIJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CSc1ccc(cc1)F
Isomeric Smiles
c1cc(ccc1SCC(=O)C)F
Calculated Properties
JChem
Acid pKa
17.9624
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.24044
LogD (pH = 7.4)
2.24044
Log P
2.24044
Molar Refractivity
48.8166
Polarizability
18.634464
Polar Surface Area
17.07
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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