Molecule ID: mol17089

SMILES: COc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(C)C(N)=N2)cc1

InChI: InChI=1S/C22H20N4O/c1-15-21(23)26-22(25-15,18-8-10-20(27-2)11-9-18)19-7-3-5-16(13-19)17-6-4-12-24-14-17/h3-14H,1-2H3,(H2,23,26)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.70 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization