Molecule ID: mol20588

SMILES: C#CCOc1noc2c1CNCC2

InChI: InChI=1S/C9H10N2O2/c1-2-5-12-9-7-6-10-4-3-8(7)13-11-9/h1,10H,3-6H2

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