Molecule ID: mol19879

SMILES: CC(C)NCC(O)COc1ccc(-c2nc(C(C)C)c[nH]2)cc1

InChI: InChI=1S/C18H27N3O2/c1-12(2)17-10-20-18(21-17)14-5-7-16(8-6-14)23-11-15(22)9-19-13(3)4/h5-8,10,12-13,15,19,22H,9,11H2,1-4H3,(H,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.32 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization