Molecule

ID:18883

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈FNO₂S
Molecular Mass
237.2501232
Exact Mass
237.02597772
Charge
0
InChI
InChI=1S/C11H8FNO2S/c1-6-9(11(14)15)16-10(13-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
InChIKey
LPBSLIRPWIFCQT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1nc(c(s1)C(=O)O)C
Isomeric Smiles
c1(sc(nc1C)c1ccc(cc1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.078672
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3253977
LogD (pH = 7.4)
-0.74433637
Log P
2.7209034
Molar Refractivity
68.2162
Polarizability
22.225702
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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