Molecule ID: mol4278

SMILES: COC(Nc1nc(NC(OC)OC)nc(NC(OC)OC)n1)OC

InChI: InChI=1S/C12H24N6O6/c1-19-10(20-2)16-7-13-8(17-11(21-3)22-4)15-9(14-7)18-12(23-5)24-6/h10-12H,1-6H3,(H3,13,14,15,16,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization