Molecule ID: mol34878

SMILES: COc1nc(N2N=C(C)CC2=O)nc(C)c1C

InChI: InChI=1S/C11H14N4O2/c1-6-5-9(16)15(14-6)11-12-8(3)7(2)10(13-11)17-4/h5H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization