Molecule ID: mol17106

SMILES: O=C(N1CCN(c2ccncc2Cl)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

InChI: InChI=1S/C20H23Cl2N5O3S/c21-16-1-3-17(4-2-16)31(29,30)27-13-11-26(12-14-27)20(28)25-9-7-24(8-10-25)19-5-6-23-15-18(19)22/h1-6,15H,7-14H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
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