Molecule ID: mol20577

SMILES: COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cn3)CC2)c1

InChI: InChI=1S/C19H23ClN4O2/c1-26-17-4-2-3-15(13-17)19(25)21-7-8-23-9-11-24(12-10-23)18-6-5-16(20)14-22-18/h2-6,13-14H,7-12H2,1H3,(H,21,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization