Molecule ID: mol23687

SMILES: O=C(O)COc1cccc(NC(=O)CN2CCCCCC2=O)c1

InChI: InChI=1S/C16H20N2O5/c19-14(10-18-8-3-1-2-7-15(18)20)17-12-5-4-6-13(9-12)23-11-16(21)22/h4-6,9H,1-3,7-8,10-11H2,(H,17,19)(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization