Molecule ID: mol29708

SMILES: COCCNCCn1cnc2c1c(=O)[nH]c(=O)n2C

InChI: InChI=1S/C11H17N5O3/c1-15-9-8(10(17)14-11(15)18)16(7-13-9)5-3-12-4-6-19-2/h7,12H,3-6H2,1-2H3,(H,14,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.62 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization