Molecule ID: mol18863

SMILES: CO/N=C(\C#N)C1=CCCNC1

InChI: InChI=1S/C8H11N3O/c1-12-11-8(5-9)7-3-2-4-10-6-7/h3,10H,2,4,6H2,1H3/b11-8+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization