Molecule ID: mol2297

SMILES: CCOC(=O)N1CCC(c2cc(=O)n(-c3ccccc3)[nH]2)CC1

InChI: InChI=1S/C17H21N3O3/c1-2-23-17(22)19-10-8-13(9-11-19)15-12-16(21)20(18-15)14-6-4-3-5-7-14/h3-7,12-13,18H,2,8-11H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.80 Hunt 0 » -1
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Charge States and Microspecies Visualization