Molecule ID: mol17009

SMILES: CC1=CN(c2ccc(S(N)(=O)=O)cc2)C(N2C=CN(C)C=C2)N1

InChI: InChI=1S/C15H19N5O2S/c1-12-11-20(13-3-5-14(6-4-13)23(16,21)22)15(17-12)19-9-7-18(2)8-10-19/h3-11,15,17H,1-2H3,(H2,16,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization