Molecule ID: mol20425

SMILES: COc1ccc2nc3cc(Cl)ccc3c(NCCCCN)c2c1

InChI: InChI=1S/C18H20ClN3O/c1-23-13-5-7-16-15(11-13)18(21-9-3-2-8-20)14-6-4-12(19)10-17(14)22-16/h4-7,10-11H,2-3,8-9,20H2,1H3,(H,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.10 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization