Molecule ID: mol37402

SMILES: CNC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(C)=O

InChI: InChI=1S/C13H21N5O7/c1-7(19)15-6-11(22)18-8(3-12(23)24)13(25)17-5-10(21)16-4-9(20)14-2/h8H,3-6H2,1-2H3,(H,14,20)(H,15,19)(H,16,21)(H,17,25)(H,18,22)(H,23,24)/t8-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization