Molecule ID: mol34638

SMILES: COc1ccc2[nH]c(NCCc3c[nH]cn3)nc2c1

InChI: InChI=1S/C13H15N5O/c1-19-10-2-3-11-12(6-10)18-13(17-11)15-5-4-9-7-14-8-16-9/h2-3,6-8H,4-5H2,1H3,(H,14,16)(H2,15,17,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.42 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization