Molecule ID: mol27294

SMILES: O=c1[nH]n(-c2ccccc2)c(=O)n1-c1ccccc1

InChI: InChI=1S/C14H11N3O2/c18-13-15-17(12-9-5-2-6-10-12)14(19)16(13)11-7-3-1-4-8-11/h1-10H,(H,15,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization