Molecule

ID:31952

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FN₂O₄S
Molecular Mass
270.2369832
Exact Mass
270.01105593
Charge
0
InChI
InChI=1S/C10H7FN2O4S/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-18(16,17)12-8/h1-5,13H,(H,14,15)
InChIKey
WLASPMNTKKKLMC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1=CC(=NS(=O)(=O)N1)c1ccc(cc1)F
Isomeric Smiles
S1(=O)(=O)N=C(C=C(N1)C(=O)O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.1164987
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.9460131
LogD (pH = 7.4)
-3.0497658
Log P
0.40930724
Molar Refractivity
61.042
Polarizability
23.179632
Polar Surface Area
95.83
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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