Molecule ID: mol25594

SMILES: Cc1nn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c(C)c1C

InChI: InChI=1S/C12H12N4O4/c1-7-8(2)13-14(9(7)3)10-4-5-11(15(17)18)12(6-10)16(19)20/h4-6H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization