Molecule ID: mol1985

SMILES: O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc(N2CCNCC2)c1Cl

InChI: InChI=1S/C21H29ClN4O/c22-18-17(1-2-24-19(18)26-5-3-23-4-6-26)20(27)25-13-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-2,14-16,23H,3-13H2,(H,25,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
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Charge States and Microspecies Visualization