Molecule ID: mol25409

SMILES: Cc1[nH]nc(C(C)(C)C)c1N=O

InChI: InChI=1S/C8H13N3O/c1-5-6(11-12)7(10-9-5)8(2,3)4/h1-4H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization