Molecule ID: mol8819

SMILES: NC(Cc1ccccc1)C(=O)NNC(=O)CNC(=O)CNC(=O)OCc1ccccc1

InChI: InChI=1S/C21H25N5O5/c22-17(11-15-7-3-1-4-8-15)20(29)26-25-19(28)13-23-18(27)12-24-21(30)31-14-16-9-5-2-6-10-16/h1-10,17H,11-14,22H2,(H,23,27)(H,24,30)(H,25,28)(H,26,29)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.65 IUPAC digitized pKa 1 » 0
9.54 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization