Molecule ID: mol26757

SMILES: COc1cccc2c1-c1c3c(OC)cccc3nc3cccc(c13)N2N

InChI: InChI=1S/C21H17N3O2/c1-25-16-10-4-7-13-19(16)21-18-12(23-13)6-3-8-14(18)24(22)15-9-5-11-17(26-2)20(15)21/h3-11H,22H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization