Molecule ID: mol16550

SMILES: O=C(O)[C@@H]1C[C@H](Oc2cccc(Cl)c2)CN1

InChI: InChI=1S/C11H12ClNO3/c12-7-2-1-3-8(4-7)16-9-5-10(11(14)15)13-6-9/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.90 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization