Molecule

ID:30676

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈FNO₂S
Molecular Mass
273.2822232
Exact Mass
273.02597772
Charge
0
InChI
InChI=1S/C14H8FNO2S/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18)
InChIKey
NECNZILGZJOMGJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(cc(n2)c1cccs1)C(=O)O
Isomeric Smiles
c1(c2c(nc(c1)c1sccc1)ccc(c2)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5612957
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.808617
LogD (pH = 7.4)
0.38521153
Log P
3.741409
Molar Refractivity
69.106
Polarizability
28.534426
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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