Molecule ID: mol4207

SMILES: COc1ncccn1

InChI: InChI=1S/C5H6N2O/c1-8-5-6-3-2-4-7-5/h2-4H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
0.75 OCHEM 1 » 0
1.00 QSARToolbox 1 » 0
1.00 AttenGpKa training set 1 » 0
1.50 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization