Molecule ID: mol35880

SMILES: CCOC(=O)c1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1

InChI: InChI=1S/C16H19N5O2/c1-2-23-15(22)11-5-6-13-14(8-11)21-16(20-13)18-7-3-4-12-9-17-10-19-12/h5-6,8-10H,2-4,7H2,1H3,(H,17,19)(H2,18,20,21)

Experimental Macro pKa Values

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