Molecule ID: mol3697

SMILES: CCOc1ccncc1

InChI: InChI=1S/C7H9NO/c1-2-9-7-3-5-8-6-4-7/h3-6H,2H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.67 IUPAC digitized pKa 1 » 0
6.67 OCHEM 1 » 0
6.67 OCHEM 1 » 0
6.67 OCHEM 1 » 0
6.67 AttenGpKa training set 1 » 0
6.67 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization