Molecule ID: mol25722

SMILES: Cc1cc(C)nc(CN)n1

InChI: InChI=1S/C7H11N3/c1-5-3-6(2)10-7(4-8)9-5/h3H,4,8H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.53 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization