Molecule ID: mol20483

SMILES: COc1cc(N2CC3COCC(C2)N3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1

InChI: InChI=1S/C24H24ClN7O2/c1-33-21-8-17(31-11-15-13-34-14-16(12-31)28-15)5-6-19(21)29-24-27-9-18(25)23(30-24)20-10-26-22-4-2-3-7-32(20)22/h2-10,15-16,28H,11-14H2,1H3,(H,27,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization