Molecule

ID:41465

General Information
Structure
MolImage
Molecular Formula
C₉H₅FO₂S
Molecular Mass
196.1982032
Exact Mass
195.99942862
Charge
0
InChI
InChI=1S/C9H5FO2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChIKey
ZKADPMNICCXSRV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1sc2c(c1)c(F)ccc2
Isomeric Smiles
c1(cc2c(s1)cccc2F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.337498
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6347821
LogD (pH = 7.4)
-0.63588965
Log P
2.7819948
Molar Refractivity
46.6548
Polarizability
18.54908
Polar Surface Area
37.3
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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