Molecule ID: mol31560

SMILES: C=CC[n+]1ccccc1/C=N/O

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization