Molecule ID: mol34380

SMILES: COc1cc2c(NNCCO)ncnc2c(OC)c1OC

InChI: InChI=1S/C13H18N4O4/c1-19-9-6-8-10(12(21-3)11(9)20-2)14-7-15-13(8)17-16-4-5-18/h6-7,16,18H,4-5H2,1-3H3,(H,14,15,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization