Molecule ID: mol36980

SMILES: O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCOCCNC(=O)CCC(=O)N(O)CCOCCN1

InChI: InChI=1S/C25H44N6O11/c32-20-4-8-24(36)30(39)14-18-42-17-12-28-22(34)6-9-25(37)31(40)15-19-41-16-11-27-21(33)5-7-23(35)29(38)13-3-1-2-10-26-20/h38-40H,1-19H2,(H,26,32)(H,27,33)(H,28,34)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.59 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization