Molecule ID: mol35827

SMILES: CCN/C(=C/C(=O)c1cccc(S(=O)(=O)O)c1)n1ccnc1

InChI: InChI=1S/C14H15N3O4S/c1-2-16-14(17-7-6-15-10-17)9-13(18)11-4-3-5-12(8-11)22(19,20)21/h3-10,16H,2H2,1H3,(H,19,20,21)/b14-9-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.50 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization