Molecule ID: mol26201

SMILES: Cn1ccnc2c(=O)ncnc1-2

InChI: InChI=1S/C7H6N4O/c1-11-3-2-8-5-6(11)9-4-10-7(5)12/h2-4H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization