Molecule

ID:44553

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆FNO₂S
Molecular Mass
223.2235432
Exact Mass
223.01032766
Charge
0
InChI
InChI=1S/C10H6FNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
InChIKey
NDPPYHUQIRQQLD-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)c1scc(n1)C(=O)O
Isomeric Smiles
c1(nc(sc1)c1cc(F)ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1765876
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.54136306
LogD (pH = 7.4)
-0.60694164
Log P
2.842944
Molar Refractivity
63.4686
Polarizability
20.48072
Polar Surface Area
50.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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