Molecule ID: mol16258

SMILES: Cc1nn(-c2cccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2)c(C)c1CC(=O)O

InChI: InChI=1S/C23H23N3O3/c1-14-19(13-22(27)28)15(2)26(25-14)18-10-6-9-17(11-18)24-23(29)21-12-20(21)16-7-4-3-5-8-16/h3-11,20-21H,12-13H2,1-2H3,(H,24,29)(H,27,28)/t20-,21+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization