Molecule ID: mol628

SMILES: O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(N2CCNCC2)ncc1Cl

InChI: InChI=1S/C21H29ClN4O/c22-18-12-24-19(26-3-1-23-2-4-26)8-17(18)20(27)25-13-21-9-14-5-15(10-21)7-16(6-14)11-21/h8,12,14-16,23H,1-7,9-11,13H2,(H,25,27)

Experimental Macro pKa Values

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