Molecule ID: mol33161

SMILES: O=C(O)CCNCCNCCC(=O)O

InChI: InChI=1S/C8H16N2O4/c11-7(12)1-3-9-5-6-10-4-2-8(13)14/h9-10H,1-6H2,(H,11,12)(H,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.87 QSARToolbox 0 » -1
6.87 QSARToolbox 0 » -1
9.60 QSARToolbox -1 » -2
9.90 OCHEM -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization