Molecule ID: mol1551

SMILES: COc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

InChI: InChI=1S/C14H13N3O5/c1-22-12-5-2-10(3-6-12)9-15-13-7-4-11(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
-4.51 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization