Molecule ID: mol17104

SMILES: O=C(N1CCC(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

InChI: InChI=1S/C21H25ClN4O3S/c22-19-1-3-20(4-2-19)30(28,29)26-15-13-25(14-16-26)21(27)24-11-7-18(8-12-24)17-5-9-23-10-6-17/h1-6,9-10,18H,7-8,11-16H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.80 OCHEM 1 » 0
5.80 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization