Molecule

ID:44239

General Information
Structure
MolImage
Molecular Formula
C₉H₆FNOS₂
Molecular Mass
227.2784432
Exact Mass
226.98748404
Charge
0
InChI
InChI=1S/C9H6FNOS2/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h1-4H,5H2
InChIKey
KQOPBWMREOTAOQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)N1C(=S)SCC1=O
Isomeric Smiles
N1(C(=S)SCC1=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
17.404787
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6364417
LogD (pH = 7.4)
2.6364417
Log P
2.6364417
Molar Refractivity
58.4212
Polarizability
22.530725
Polar Surface Area
20.31
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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