Molecule ID: mol37160

SMILES: O=P(O)(O)CN1CCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CC1

InChI: InChI=1S/C9H24N3O9P3/c13-22(14,15)7-10-1-2-11(8-23(16,17)18)5-6-12(4-3-10)9-24(19,20)21/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.53 QSARToolbox 2 » 1
7.09 QSARToolbox -4 » -5
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization