Molecule ID: mol21151

SMILES: COc1cc2c(cc1OC)-c1c(-c3cncs3)nc(C)n1CC2

InChI: InChI=1S/C17H17N3O2S/c1-10-19-16(15-8-18-9-23-15)17-12-7-14(22-3)13(21-2)6-11(12)4-5-20(10)17/h6-9H,4-5H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization