Molecule ID: mol19869

SMILES: CC(C)NCC(O)COc1ccc(-c2ncc[nH]2)cc1

InChI: InChI=1S/C15H21N3O2/c1-11(2)18-9-13(19)10-20-14-5-3-12(4-6-14)15-16-7-8-17-15/h3-8,11,13,18-19H,9-10H2,1-2H3,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization