Molecule ID: mol7967

SMILES: O=c1nccc2n1CCN2CCO

InChI: InChI=1S/C8H11N3O2/c12-6-5-10-3-4-11-7(10)1-2-9-8(11)13/h1-2,12H,3-6H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.84 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization