Molecule ID: mol26756

SMILES: COc1cccc2c1-c1c3c(OC)cccc3nc3cccc(c13)N2C

InChI: InChI=1S/C22H18N2O2/c1-24-15-9-4-7-13-19(15)22(21-16(24)10-6-12-18(21)26-3)20-14(23-13)8-5-11-17(20)25-2/h4-12H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization