Molecule

ID:115731

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇FN₂O₃S
Molecular Mass
266.2482832
Exact Mass
266.01614131
Charge
0
InChI
InChI=1S/C11H7FN2O3S/c12-7-4-2-1-3-6(7)9(15)14-11-13-8(5-18-11)10(16)17/h1-5H,(H,16,17)(H,13,14,15)
InChIKey
NVTQFNVHCUNDOO-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1F)Nc1scc(n1)C(=O)O
Isomeric Smiles
c1(nc(NC(=O)c2c(F)cccc2)sc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1606405
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.27992022
LogD (pH = 7.4)
-0.8744328
Log P
2.5943086
Molar Refractivity
63.3738
Polarizability
22.973478
Polar Surface Area
79.29
Rotatable Bonds
3
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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