Molecule ID: mol2994

SMILES: O=C(O)COc1ccc2c(c1)Cc1ccccc1-2

InChI: InChI=1S/C15H12O3/c16-15(17)9-18-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)14/h1-6,8H,7,9H2,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization