Molecule ID: mol1552

SMILES: Cc1cccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

InChI: InChI=1S/C14H13N3O4/c1-10-3-2-4-11(7-10)9-15-13-6-5-12(16(18)19)8-14(13)17(20)21/h2-8,15H,9H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.68 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization