Molecule ID: mol4499

SMILES: N#CCCn1cnc2ccccc21

InChI: InChI=1S/C10H9N3/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h1-2,4-5,8H,3,7H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.30 IUPAC digitized pKa 1 » 0
4.30 OCHEM 1 » 0
4.30 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization