Molecule ID: mol21225

SMILES: COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCOCC2C1

InChI: InChI=1S/C16H22ClN3O3/c1-22-15-8-14(18)13(17)7-12(15)16(21)19-10-2-3-20-4-5-23-9-11(20)6-10/h7-8,10-11H,2-6,9,18H2,1H3,(H,19,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization