Molecule ID: mol17013

SMILES: CC1=CN(c2ccc(S(N)(=O)=O)cc2)C(N2C=CN(C)C=C2)S1

InChI: InChI=1S/C15H18N4O2S2/c1-12-11-19(13-3-5-14(6-4-13)23(16,20)21)15(22-12)18-9-7-17(2)8-10-18/h3-11,15H,1-2H3,(H2,16,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.20 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization