Molecule ID: mol2619

SMILES: OCCNC1=Nc2ccccc2C(c2ccccc2)=NC1c1cccs1

InChI: InChI=1S/C21H19N3OS/c25-13-12-22-21-20(18-11-6-14-26-18)24-19(15-7-2-1-3-8-15)16-9-4-5-10-17(16)23-21/h1-11,14,20,25H,12-13H2,(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization