Molecule ID: mol24058

SMILES: Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

InChI: InChI=1S/C13H11N3O3/c14-10-3-1-9(2-4-10)13(17)15-11-5-7-12(8-6-11)16(18)19/h1-8H,14H2,(H,15,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization