Molecule ID: mol21080

SMILES: COc1cccc(-c2cccc(C3(C)CCSC(N)=N3)c2)c1

InChI: InChI=1S/C18H20N2OS/c1-18(9-10-22-17(19)20-18)15-7-3-5-13(11-15)14-6-4-8-16(12-14)21-2/h3-8,11-12H,9-10H2,1-2H3,(H2,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization