Molecule ID: mol33015

SMILES: NC(=O)NCCCC(N)C(=O)O

InChI: InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.43 OCHEM 1 » 0
2.43 QSARToolbox 1 » 0
2.43 QSARToolbox 1 » 0
2.43 QSARToolbox 1 » 0
9.40 OCHEM 0 » -1
9.41 QSARToolbox 0 » -1
9.71 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization