Molecule ID: mol20748

SMILES: COc1ccc(OC(=O)NCCN)cc1

InChI: InChI=1S/C10H14N2O3/c1-14-8-2-4-9(5-3-8)15-10(13)12-7-6-11/h2-5H,6-7,11H2,1H3,(H,12,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.65 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization