Molecule ID: mol17971

SMILES: CC(C)(O)c1ccn2ccnc2n1

InChI: InChI=1S/C9H11N3O/c1-9(2,13)7-3-5-12-6-4-10-8(12)11-7/h3-6,13H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization