Molecule ID: mol32688

SMILES: COc1c(N)cccc1C(=O)NC1CC2CCC(C1)N2Cc1ccccc1

InChI: InChI=1S/C22H27N3O2/c1-27-21-19(8-5-9-20(21)23)22(26)24-16-12-17-10-11-18(13-16)25(17)14-15-6-3-2-4-7-15/h2-9,16-18H,10-14,23H2,1H3,(H,24,26)

Experimental Macro pKa Values

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