Molecule ID: mol20865

SMILES: Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1

InChI: InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization