Molecule ID: mol19167

SMILES: O=C(c1cc2cc(OC3CCN(C4CC4)CC3)ccc2[nH]1)N1CCOCC1

InChI: InChI=1S/C21H27N3O3/c25-21(24-9-11-26-12-10-24)20-14-15-13-18(3-4-19(15)22-20)27-17-5-7-23(8-6-17)16-1-2-16/h3-4,13-14,16-17,22H,1-2,5-12H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.70 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization