Molecule ID: mol3013

SMILES: O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCOCC2)nc2ccccc12

InChI: InChI=1S/C24H19N5O3/c30-22-19(16-13-25-17-7-3-1-5-14(16)17)20(23(31)28-22)21-15-6-2-4-8-18(15)26-24(27-21)29-9-11-32-12-10-29/h1-8,13,25H,9-12H2,(H,28,30,31)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.30 Novartis 0 » -1
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Charge States and Microspecies Visualization