Molecule ID: mol38103

SMILES: O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1CN1CCCCC1

InChI: InChI=1S/C18H25N3O2/c22-17-10-9-16(21(17)14-20-11-5-2-6-12-20)18(23)19-13-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,23)/t16-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.20 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization