Molecule ID: mol35428

SMILES: CCCN(CCC)C(=O)CN(C)c1c(C(=O)OCC)cnc2ccc(Cl)cc12

InChI: InChI=1S/C21H28ClN3O3/c1-5-10-25(11-6-2)19(26)14-24(4)20-16-12-15(22)8-9-18(16)23-13-17(20)21(27)28-7-3/h8-9,12-13H,5-7,10-11,14H2,1-4H3

Experimental Macro pKa Values

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