Molecule ID: mol36174

SMILES: O=C(O)CN1CCOCCOCCN(CC(=O)O)CC(=O)Nc2ccccc2NC(=O)C1

InChI: InChI=1S/C20H28N4O8/c25-17-11-23(13-19(27)28)5-7-31-9-10-32-8-6-24(14-20(29)30)12-18(26)22-16-4-2-1-3-15(16)21-17/h1-4H,5-14H2,(H,21,25)(H,22,26)(H,27,28)(H,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization