Molecule ID: mol8181

SMILES: CC1(C)CC(=O)C(C2Nc3cncnc3N=C2O)C(=O)C1

InChI: InChI=1S/C14H16N4O3/c1-14(2)3-8(19)10(9(20)4-14)11-13(21)18-12-7(17-11)5-15-6-16-12/h5-6,10-11,17H,3-4H2,1-2H3,(H,15,16,18,21)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.30 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization