Molecule ID: mol26315

SMILES: NC1=NC2OC(c3ccc(Cl)cc3)=NC2C(N)=N1

InChI: InChI=1S/C11H10ClN5O/c12-6-3-1-5(2-4-6)9-15-7-8(13)16-11(14)17-10(7)18-9/h1-4,7,10H,(H4,13,14,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.50 AttenGpKa training set 3 » 2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization