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Chem Di Sodium Phenyl Phosphate | Cheminformatics

di-Sodium Phenyl Phosphate


  • SKU Code: CH137294
Chemical Name - di-Sodium Phenyl Phosphate
Mol Weight - 172.076
Smiles - [O-]P([O-])(Oc1ccccc1)=O.[Na+].[Na+]
Property Name Property Value
Mol Namedi-Sodium Phenyl Phosphate
Molweight172.076
Monoisotopic Mass171.992547
Clogp-4.4263
Clogs-0.21
H Acceptors4
Total Surface Area122.09
Relative Psa0.45524
Polar Surface Area82.23
Druglikeness-22.306
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.63636
Molecular Flexibility0.56016
Molecular Complexity0.55452
Fragments3
Non H Atoms11
Non Ch Atoms5
Electronegative Atoms5
Rotatable Bonds2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms4
Symmetric Atoms3
Acidic Oxygens2
Smiles[O-]P([O-])(Oc1ccccc1)=O.[Na+].[Na+]
InChIKeyInChI=1S/C6H7O4P.2Na/c7-11(8,9)10-6-4-2-1-3-5-6;;/h1-5H,(H2,7,8,9);;/q;2*+1/p-2
InChITYJOJLOWRIQYQM-UHFFFAOYSA-L

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