Molecule ID: mol17008

SMILES: CC1=CN(c2ccc(S(N)(=O)=O)cc2)C(C2C=CN(C)C=C2)N1

InChI: InChI=1S/C16H20N4O2S/c1-12-11-20(14-3-5-15(6-4-14)23(17,21)22)16(18-12)13-7-9-19(2)10-8-13/h3-11,13,16,18H,1-2H3,(H2,17,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization