Molecule ID: mol21051

SMILES: O=C(Nc1cnc2ccccn12)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

InChI: InChI=1S/C25H24ClN5O2/c26-20-7-9-21(10-8-20)33-22-5-3-4-19(16-22)18-29-12-14-30(15-13-29)25(32)28-24-17-27-23-6-1-2-11-31(23)24/h1-11,16-17H,12-15,18H2,(H,28,32)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization