Molecule

ID:54156

General Information
Structure
MolImage
Molecular Formula
C₈H₈FNS
Molecular Mass
169.2192232
Exact Mass
169.03614848
Charge
0
InChI
InChI=1S/C8H8FNS/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H2,10,11)
InChIKey
WFCXNRMNVWYANI-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1ccc(c(c1)F)C
Isomeric Smiles
c1c(c(cc(c1)C(=S)N)F)C
Calculated Properties
JChem
Acid pKa
12.240928
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.369879
LogD (pH = 7.4)
2.3698847
Log P
2.369879
Molar Refractivity
48.3849
Polarizability
17.945225
Polar Surface Area
26.02
Rotatable Bonds
1
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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