Molecule ID: mol20451

SMILES: Cc1noc(C2=CCC(C)NC2)n1

InChI: InChI=1S/C9H13N3O/c1-6-3-4-8(5-10-6)9-11-7(2)12-13-9/h4,6,10H,3,5H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization