Molecule ID: mol31310

SMILES: CC(O)(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

InChI: InChI=1S/C14H10N4O11/c1-14(19,28-12-4-2-8(15(20)21)6-10(12)17(24)25)29-13-5-3-9(16(22)23)7-11(13)18(26)27/h2-7,19H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization