Molecule

ID:66646

General Information
Structure
Molecular Formula
C₁₀H₆FNO₂S
Molecular Mass
223.2235432
Exact Mass
223.01032766
Charge
0
InChI
InChI=1S/C10H6FNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
InChIKey
VVZKBCLSODNUDS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1scc(n1)C(=O)O
Isomeric Smiles
s1c(nc(c1)C(=O)O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.1773386
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.54157144
LogD (pH = 7.4)
-0.606904
Log P
2.842944
Molar Refractivity
63.4686
Polarizability
20.47749
Polar Surface Area
50.19
Rotatable Bonds
2
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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