Molecule ID: mol37155

SMILES: O=P(O)(O)CN(Cc1cccc(CN(CP(=O)(O)O)CP(=O)(O)O)c1)CP(=O)(O)O

InChI: InChI=1S/C12H24N2O12P4/c15-27(16,17)7-13(8-28(18,19)20)5-11-2-1-3-12(4-11)6-14(9-29(21,22)23)10-30(24,25)26/h1-4H,5-10H2,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.52 QSARToolbox -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization