Molecule ID: mol38533

SMILES: NCC(=O)NCC(=O)NC(CS)C(=O)O

InChI: InChI=1S/C7H13N3O4S/c8-1-5(11)9-2-6(12)10-4(3-15)7(13)14/h4,15H,1-3,8H2,(H,9,11)(H,10,12)(H,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.98 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization