Molecule ID: mol4823

SMILES: COc1ncc2nccnc2n1

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.10 IUPAC digitized pKa 1 » 0
2.13 AttenGpKa training set 1 » 0
2.13 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization