Molecule ID: mol19471

SMILES: CCOC(=O)Cc1ccc(O)c2ncccc12

InChI: InChI=1S/C13H13NO3/c1-2-17-12(16)8-9-5-6-11(15)13-10(9)4-3-7-14-13/h3-7,15H,2,8H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.00 Baltruschat ChEMBL 1 » 0
4.72 Baltruschat ChEMBL 1 » 0
9.40 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization