Molecule ID: mol15315

SMILES: CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4

InChI: InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.60 OCHEM 1 » 0
2.60 QSARToolbox 1 » 0
2.60 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization