Molecule ID: mol31474

SMILES: CN(O)C(=O)CCCCNC(=O)CCCC(=O)N(C)O

InChI: InChI=1S/C12H23N3O5/c1-14(19)11(17)7-3-4-9-13-10(16)6-5-8-12(18)15(2)20/h19-20H,3-9H2,1-2H3,(H,13,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization