Molecule ID: mol26080

SMILES: CN(O)c1cc[n+](O)c2ccccc12

InChI: InChI=1S/C10H11N2O2/c1-11(13)9-6-7-12(14)10-5-3-2-4-8(9)10/h2-7,13-14H,1H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization