Molecule ID: mol31625

SMILES: Cn1cc[n+](Cc2ccccc2)c1/C=N/O

InChI: InChI=1S/C12H13N3O/c1-14-7-8-15(12(14)9-13-16)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization