Molecule ID: mol4808

SMILES: O=CN1CCNc2ncncc21

InChI: InChI=1S/C7H8N4O/c12-5-11-2-1-9-7-6(11)3-8-4-10-7/h3-5H,1-2H2,(H,8,9,10)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.99 IUPAC digitized pKa 1 » 0
5.00 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization