Molecule ID: mol29671

SMILES: N=C1N(Cc2ccc(Cl)nc2)CCN1[N+](=O)[O-]

InChI: InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-13-3-4-14(9(13)11)15(16)17/h1-2,5,11H,3-4,6H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.56 AttenGpKa training set 2 » 1
11.12 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization