Molecule ID: mol25576

SMILES: N#Cc1nc(-n2c(N)nc(C#N)c2C#N)[nH]c1C#N

InChI: InChI=1S/C10H3N9/c11-1-5-6(2-12)18-10(17-5)19-8(4-14)7(3-13)16-9(19)15/h(H2,15,16)(H,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.40 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization