Molecule ID: mol29867

SMILES: CC1Cc2cc3c(cc2C(Cc2ccc4c(c2)OCO4)=N1)OCO3

InChI: InChI=1S/C19H17NO4/c1-11-4-13-7-18-19(24-10-23-18)8-14(13)15(20-11)5-12-2-3-16-17(6-12)22-9-21-16/h2-3,6-8,11H,4-5,9-10H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization