Molecule
ID:68019
General Information
Molecular Formula
C₅H₃FO₂S
Molecular Mass
146.1395232
Exact Mass
145.98377856
Charge
0
InChI
InChI=1S/C5H3FO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChIKey
WPHRBUAOSDHRDS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1sccc1F
Isomeric Smiles
c1(c(ccs1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1506186
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.32088488
LogD (pH = 7.4)
-1.3800287
Log P
1.686412
Molar Refractivity
30.4205
Polarizability
11.275975
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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