Molecule ID: mol23674

SMILES: O=C(O)COc1ccccc1NC(=O)CN1CCCC1=O

InChI: InChI=1S/C14H16N2O5/c17-12(8-16-7-3-6-13(16)18)15-10-4-1-2-5-11(10)21-9-14(19)20/h1-2,4-5H,3,6-9H2,(H,15,17)(H,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization