Molecule

ID:28444

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄S₂
Molecular Mass
298.3381
Exact Mass
298.00819881
Charge
0
InChI
InChI=1S/C11H10N2O4S2/c14-11(15)10-9(3-5-18-10)19(16,17)13-7-8-2-1-4-12-6-8/h1-6,13H,7H2,(H,14,15)
InChIKey
PHIHKXCCGUFWTO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1sccc1S(=O)(=O)NCc1cccnc1
Isomeric Smiles
c1(S(=O)(=O)NCc2cnccc2)c(C(=O)O)scc1
Calculated Properties
JChem
Acid pKa
3.0567477
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.9847166
LogD (pH = 7.4)
-2.4252756
Log P
-0.27096057
Molar Refractivity
69.7144
Polarizability
27.322832
Polar Surface Area
96.36
Rotatable Bonds
4
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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