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5-Nitroisophthalic Acid


  • SKU Code: CH136400
Chemical Name - 5-Nitroisophthalic Acid
Mol Weight - 211.129
Smiles - [O-][N+](c1cc(C(O)=O)cc(C(O)=O)c1)=O
Property Name Property Value
Mol Name5-Nitroisophthalic Acid
Molweight211.129
Monoisotopic Mass211.011689
Clogp-0.2918
Clogs-2.102
H Acceptors7
H Donors2
Total Surface Area145.13
Relative Psa0.56983
Polar Surface Area120.42
Druglikeness-6.9461
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.46667
Molecular Flexibility0.45824
Molecular Complexity0.65788
Fragments1
Non H Atoms15
Non Ch Atoms7
Electronegative Atoms7
Rotatable Bonds3
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms3
Symmetric Atoms5
Acidic Oxygens3
Smiles[O-][N+](c1cc(C(O)=O)cc(C(O)=O)c1)=O

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