Molecule ID: mol30909

SMILES: O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)COc2cc(O)ccc21

InChI: InChI=1S/C16H11NO5/c18-13-5-6-14-15(8-13)22-9-11(16(14)19)7-10-1-3-12(4-2-10)17(20)21/h1-8,18H,9H2/b11-7+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization