Molecule ID: mol18921

SMILES: Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12

InChI: InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)

Experimental Macro pKa Values

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