Molecule ID: mol26732

SMILES: CC(C)(C)C(=O)ONc1ccc2c(n1)[nH]c1ccccc12

InChI: InChI=1S/C16H17N3O2/c1-16(2,3)15(20)21-19-13-9-8-11-10-6-4-5-7-12(10)17-14(11)18-13/h4-9H,1-3H3,(H2,17,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization