Molecule

ID:116094

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FN₂O₂S
Molecular Mass
240.2540632
Exact Mass
240.03687676
Charge
0
InChI
InChI=1S/C10H9FN2O2S/c1-13(5-9(14)15)10-12-7-3-2-6(11)4-8(7)16-10/h2-4H,5H2,1H3,(H,14,15)
InChIKey
TUBJWAYSNIBJDM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(c1nc2c(s1)cc(cc2)F)C
Isomeric Smiles
c1(nc2c(s1)cc(cc2)F)N(CC(=O)O)C
Calculated Properties
JChem
Acid pKa
4.2482133
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2202101
LogD (pH = 7.4)
-0.49679047
Log P
2.3511825
Molar Refractivity
57.3316
Polarizability
22.528503
Polar Surface Area
53.43
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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