Molecule ID: mol26015

SMILES: O=C(O)Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1

InChI: InChI=1S/C9H7N5O4/c15-8(16)5-13-11-9(10-12-13)6-1-3-7(4-2-6)14(17)18/h1-4H,5H2,(H,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-5.22 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization