Molecule ID: mol31561

SMILES: C=CC[n+]1ccc(/C=N/O)cc1

InChI: InChI=1S/C9H10N2O/c1-2-5-11-6-3-9(4-7-11)8-10-12/h2-4,6-8H,1,5H2/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.40 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization