Molecule ID: mol8418

SMILES: CN1C(=O)C2NC3OC(CO)C(O)C(O)C3N=C2NC1N

InChI: InChI=1S/C11H19N5O5/c1-16-10(20)5-8(15-11(16)12)13-4-7(19)6(18)3(2-17)21-9(4)14-5/h3-7,9,11,14,17-19H,2,12H2,1H3,(H,13,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.20 IUPAC digitized pKa 3 » 2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization