Molecule ID: mol37235

SMILES: NCCNC[C@@H](O)C(O)C(O)C(O)CO

InChI: InChI=1S/C8H20N2O5/c9-1-2-10-3-5(12)7(14)8(15)6(13)4-11/h5-8,10-15H,1-4,9H2/t5-,6?,7?,8?/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.59 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization