Molecule ID: mol598

SMILES: O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OC2CCNCC2)ccc1Cl

InChI: InChI=1S/C23H31ClN2O2/c24-21-2-1-19(28-18-3-5-25-6-4-18)10-20(21)22(27)26-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-18,25H,3-9,11-14H2,(H,26,27)

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