Molecule ID: mol29624

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

InChI: InChI=1S/C6H7ClN6O2/c7-2-5(15)12-3(8)1(11-2)4(14)13-6(9)10/h(H3,8,12,15)(H4,9,10,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization