Molecule ID: mol19627

SMILES: O=C1NC2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1

InChI: InChI=1S/C24H27ClN4O2/c25-19-6-3-7-20(17-19)28-15-13-27(14-16-28)11-4-12-29-22(30)24(26-23(29)31)10-9-18-5-1-2-8-21(18)24/h1-3,5-8,17H,4,9-16H2,(H,26,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization