Molecule ID: mol36368

SMILES: O=C(O)c1c2cccc1COCCOCc1cccc(n1)COCCOC2

InChI: InChI=1S/C20H23NO6/c22-20(23)19-15-3-1-4-16(19)12-25-8-10-27-14-18-6-2-5-17(21-18)13-26-9-7-24-11-15/h1-6H,7-14H2,(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization