Molecule ID: mol16267

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

InChI: InChI=1S/C17H29N3O10/c1-2-7-30-17(29)12-20(11-16(27)28)6-4-18(8-13(21)22)3-5-19(9-14(23)24)10-15(25)26/h2-12H2,1H3,(H,21,22)(H,23,24)(H,25,26)(H,27,28)

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