Molecule ID: mol2626

SMILES: OC1CN(C2=Nc3ncccc3C(c3ccccc3)=NC2c2cccs2)C1

InChI: InChI=1S/C21H18N4OS/c26-15-12-25(13-15)21-19(17-9-5-11-27-17)23-18(14-6-2-1-3-7-14)16-8-4-10-22-20(16)24-21/h1-11,15,19,26H,12-13H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization