Molecule ID: mol29625

SMILES: O=C(NC1=CON=CC=C1)c1cccc(O)c1

InChI: InChI=1S/C12H10N2O3/c15-11-5-1-3-9(7-11)12(16)14-10-4-2-6-13-17-8-10/h1-8,15H,(H,14,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.81 AttenGpKa training set 0 » -1
11.20 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization