Molecule ID: mol16763

SMILES: CC(C)N(Cc1no[n+]([O-])c1C(N)=O)C(C)C

InChI: InChI=1S/C10H18N4O3/c1-6(2)13(7(3)4)5-8-9(10(11)15)14(16)17-12-8/h6-7H,5H2,1-4H3,(H2,11,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization