Molecule ID: mol34379

SMILES: COc1cc2c(NN)ncnc2c(OC)c1OC

InChI: InChI=1S/C11H14N4O3/c1-16-7-4-6-8(10(18-3)9(7)17-2)13-5-14-11(6)15-12/h4-5H,12H2,1-3H3,(H,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization