Molecule ID: mol8081

SMILES: CCOC(=O)c1nc2c(OC)nc(N)nc2n(C)c1=O

InChI: InChI=1S/C11H13N5O4/c1-4-20-10(18)6-9(17)16(2)7-5(13-6)8(19-3)15-11(12)14-7/h4H2,1-3H3,(H2,12,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.60 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization