Molecule ID: mol29656

SMILES: N=C(N)NC(=O)c1nc(Cl)c(Cl)nc1N

InChI: InChI=1S/C6H6Cl2N6O/c7-2-3(8)13-4(9)1(12-2)5(15)14-6(10)11/h(H2,9,13)(H4,10,11,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization