Molecule ID: mol15000

SMILES: CC#CC(C)Oc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2C

InChI: InChI=1S/C20H26ClN3O2/c1-4-5-12(2)26-19-11-18(22)17(21)10-16(19)20(25)23-13-8-14-6-7-15(9-13)24(14)3/h10-15H,6-9,22H2,1-3H3,(H,23,25)/t12?,13-,14-,15+

Experimental Macro pKa Values

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