Molecule ID: mol34637

SMILES: COc1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1

InChI: InChI=1S/C14H17N5O/c1-20-11-4-5-12-13(7-11)19-14(18-12)16-6-2-3-10-8-15-9-17-10/h4-5,7-9H,2-3,6H2,1H3,(H,15,17)(H2,16,18,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.65 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization