Molecule ID: mol24

SMILES: NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O

InChI: InChI=1S/C27H29N3O4/c28-22(16-19-10-4-1-5-11-19)25(31)29-23(17-20-12-6-2-7-13-20)26(32)30-24(27(33)34)18-21-14-8-3-9-15-21/h1-15,22-24H,16-18,28H2,(H,29,31)(H,30,32)(H,33,34)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.37 Settimo 1 » 0
7.04 Settimo 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization