Molecule ID: mol23688

SMILES: O=C(O)COc1ccc(NC(=O)CN2CCCCCC2=O)cc1

InChI: InChI=1S/C16H20N2O5/c19-14(10-18-9-3-1-2-4-15(18)20)17-12-5-7-13(8-6-12)23-11-16(21)22/h5-8H,1-4,9-11H2,(H,17,19)(H,21,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.88 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization