Molecule ID: mol21052

SMILES: O=C(Nc1cccc2nccn12)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

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