Molecule ID: mol4023

SMILES: Cn1ncccc1=O

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-2.10 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization