Molecule ID: mol38104

SMILES: O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1CN1CCOCC1

InChI: InChI=1S/C17H23N3O3/c21-16-7-6-15(20(16)13-19-8-10-23-11-9-19)17(22)18-12-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,18,22)/t15-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.10 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization