Molecule ID: mol17044

SMILES: CCOc1noc2c1CNCC2

InChI: InChI=1S/C8H12N2O2/c1-2-11-8-6-5-9-4-3-7(6)12-10-8/h9H,2-5H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.60 QSARToolbox 1 » 0
7.60 OCHEM 1 » 0
7.60 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization