Molecule ID: mol16262

SMILES: CCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

InChI: InChI=1S/C17H30N4O9/c1-2-3-18-13(22)8-20(10-15(25)26)6-4-19(9-14(23)24)5-7-21(11-16(27)28)12-17(29)30/h2-12H2,1H3,(H,18,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.80 OCHEM 2 » 1
1.80 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization