Molecule ID: mol37165

SMILES: O=P(O)(O)Cc1cc(CP(=O)(O)O)c(CP(=O)(O)O)cc1CP(=O)(O)O

InChI: InChI=1S/C10H18O12P4/c11-23(12,13)3-7-1-8(4-24(14,15)16)10(6-26(20,21)22)2-9(7)5-25(17,18)19/h1-2H,3-6H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization