Molecule ID: mol13587

SMILES: NCCc1cccnc1

InChI: InChI=1S/C7H10N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization