Molecule ID: mol35881

SMILES: CCOC(=O)c1ccc2[nH]c(NCCc3c[nH]cn3)nc2c1

InChI: InChI=1S/C15H17N5O2/c1-2-22-14(21)10-3-4-12-13(7-10)20-15(19-12)17-6-5-11-8-16-9-18-11/h3-4,7-9H,2,5-6H2,1H3,(H,16,18)(H2,17,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.09 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization