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Chem Zinc Benzenesulfinate Dihydrate | Cheminformatics

Zinc Benzenesulfinate Dihydrate


  • SKU Code: CH139670
Chemical Name - Zinc Benzenesulfinate Dihydrate
Mol Weight - 141.17
Smiles - [O-]S(c1ccccc1)=O.[O-]S(c1ccccc1)=O.O.O.[Zn+2]
Property Name Property Value
Mol NameZinc Benzenesulfinate Dihydrate
Molweight141.17
Monoisotopic Mass141.001025
Clogp-1.6298
Clogs-1.451
H Acceptors2
Total Surface Area103.51
Relative Psa0.35745
Polar Surface Area59.34
Druglikeness-4.3156
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.35005
Molecular Complexity0.62123
Fragments5
Non H Atoms9
Non Ch Atoms3
Electronegative Atoms3
Stereo Centers1
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Symmetric Atoms2
Smiles[O-]S(c1ccccc1)=O.[O-]S(c1ccccc1)=O.O.O.[Zn+2]
InChIKeyInChI=1S/2C6H8O2S.2H2O.Zn/c2*7-9(8)6-4-2-1-3-5-6;;;/h2*1-5H,9H2,(H,7,8);2*1H2;/q;;;;+2/p-2
InChIWURXXMZGAQIYHK-UHFFFAOYSA-L

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