Molecule ID: mol17010

SMILES: CC1=CN(c2ccc(S(N)(=O)=O)cc2)C(C2C=CN(C)C=C2)O1

InChI: InChI=1S/C16H19N3O3S/c1-12-11-19(14-3-5-15(6-4-14)23(17,20)21)16(22-12)13-7-9-18(2)10-8-13/h3-11,13,16H,1-2H3,(H2,17,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization