Molecule ID: mol35779

SMILES: O=C1OCCOCCOC(=O)c2cc(n[nH]2)C(=O)OCCOCCOC(=O)c2cc1n[nH]2

InChI: InChI=1S/C18H20N4O10/c23-15-11-9-12(20-19-11)17(25)31-7-3-28-4-8-32-18(26)14-10-13(21-22-14)16(24)30-6-2-27-1-5-29-15/h9-10H,1-8H2,(H,19,20)(H,21,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.10 QSARToolbox 0 » -1
10.90 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization