Molecule ID: mol37316

SMILES: O[C@H]1[C@H]2O[C@H]2c2c(ccc3nc4ccc5ccccc5c4cc23)[C@@H]1O

InChI: InChI=1S/C21H15NO3/c23-18-12-6-8-16-14(17(12)20-21(25-20)19(18)24)9-13-11-4-2-1-3-10(11)5-7-15(13)22-16/h1-9,18-21,23-24H/t18-,19+,20-,21+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization