Molecule ID: mol555

SMILES: COc1cccc(C(=O)NCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1

InChI: InChI=1S/C21H24Cl2N2O3/c1-27-17-4-2-3-15(13-17)21(26)24-9-12-25-10-7-16(8-11-25)28-18-5-6-19(22)20(23)14-18/h2-6,13-14,16H,7-12H2,1H3,(H,24,26)

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