Molecule ID: mol29577

SMILES: Cc1cc2c(=O)[nH]c(=O)nc-2n(C)c1C

InChI: InChI=1S/C10H11N3O2/c1-5-4-7-8(13(3)6(5)2)11-10(15)12-9(7)14/h4H,1-3H3,(H,12,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization