Molecule ID: mol21050

SMILES: O=C(Nc1nn[nH]n1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

InChI: InChI=1S/C19H20ClN7O2/c20-15-4-6-16(7-5-15)29-17-3-1-2-14(12-17)13-26-8-10-27(11-9-26)19(28)21-18-22-24-25-23-18/h1-7,12H,8-11,13H2,(H2,21,22,23,24,25,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.90 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization