Molecule ID: mol19784

SMILES: O=C(Nc1noc2ccccc12)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

InChI: InChI=1S/C25H23ClN4O3/c26-19-8-10-20(11-9-19)32-21-5-3-4-18(16-21)17-29-12-14-30(15-13-29)25(31)27-24-22-6-1-2-7-23(22)33-28-24/h1-11,16H,12-15,17H2,(H,27,28,31)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-4.70 Baltruschat ChEMBL 3 » 2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization