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Chem Diacerein | Cheminformatics

Diacerein


  • SKU Code: CH136924
Chemical Name - Diacerein
Mol Weight - 368.296
Smiles - CC(Oc(cccc1C(c2cc(C(O)=O)cc(OC(C)=O)c22)=O)c1C2=O)=O
Property Name Property Value
Mol NameDiacerein
Molweight368.296
Monoisotopic Mass368.05322
Clogp2.4919
Clogs-5.343
H Acceptors8
H Donors1
Total Surface Area259.14
Relative Psa0.37933
Polar Surface Area124.04
Druglikeness-1.0845
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.44444
Molecular Flexibility0.30798
Molecular Complexity0.92351
Fragments1
Non H Atoms27
Non Ch Atoms8
Electronegative Atoms8
Rotatable Bonds5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3 Atoms5
Acidic Oxygens1
SmilesCC(Oc(cccc1C(c2cc(C(O)=O)cc(OC(C)=O)c22)=O)c1C2=O)=O
InChIKey
InChIC19H12O8

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