Molecule ID: mol13585

SMILES: NCCc1ccncc1

InChI: InChI=1S/C7H10N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1,4,8H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.98 Datawarrior 2 » 1
4.98 QSARToolbox 2 » 1
9.37 OCHEM 1 » 0
9.37 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization