Molecule ID: mol625

SMILES: O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OC2CCNCC2)ncc1Cl

InChI: InChI=1S/C22H30ClN3O2/c23-19-12-25-20(28-17-1-3-24-4-2-17)8-18(19)21(27)26-13-22-9-14-5-15(10-22)7-16(6-14)11-22/h8,12,14-17,24H,1-7,9-11,13H2,(H,26,27)

Experimental Macro pKa Values

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