Molecule ID: mol26729

SMILES: CC(=O)ON(C(C)=O)c1ccc2c(n1)[nH]c1ccccc12

InChI: InChI=1S/C15H13N3O3/c1-9(19)18(21-10(2)20)14-8-7-12-11-5-3-4-6-13(11)16-15(12)17-14/h3-8H,1-2H3,(H,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.04 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization