Molecule ID: mol4082

SMILES: CCOC(=O)CNc1nc(N(C)C)nc(C(=O)OCC)c1N

InChI: InChI=1S/C13H21N5O4/c1-5-21-8(19)7-15-11-9(14)10(12(20)22-6-2)16-13(17-11)18(3)4/h5-7,14H2,1-4H3,(H,15,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization