Molecule ID: mol25808

SMILES: CNc1nc(C)nc(Cl)c1[N+](=O)[O-]

InChI: InChI=1S/C6H7ClN4O2/c1-3-9-5(7)4(11(12)13)6(8-2)10-3/h1-2H3,(H,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization