Molecule ID: mol31461

SMILES: CN(O)C(=O)CCNC(=O)CCC(=O)N(C)O

InChI: InChI=1S/C9H17N3O5/c1-11(16)8(14)4-3-7(13)10-6-5-9(15)12(2)17/h16-17H,3-6H2,1-2H3,(H,10,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.36 AttenGpKa training set -1 » -2
9.24 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization