Molecule ID: mol20447

SMILES: Cc1noc(C2=CCCNC2)n1

InChI: InChI=1S/C8H11N3O/c1-6-10-8(12-11-6)7-3-2-4-9-5-7/h3,9H,2,4-5H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization