Molecule ID: mol8029

SMILES: CC(=O)NN1C=C2OC(C)N=C2N(NC(C)=O)C1

InChI: InChI=1S/C10H15N5O3/c1-6(16)12-14-4-9-10(11-8(3)18-9)15(5-14)13-7(2)17/h4,8H,5H2,1-3H3,(H,12,16)(H,13,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.48 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization