Molecule ID: mol25145

SMILES: C(=C/c1nccs1)\c1cccc(/C=C/c2nccs2)n1

InChI: InChI=1S/C15H11N3S2/c1-2-12(4-6-14-16-8-10-19-14)18-13(3-1)5-7-15-17-9-11-20-15/h1-11H/b6-4+,7-5+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.10 AttenGpKa training set 3 » 2
1.10 AttenGpKa training set 2 » 1
2.80 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization