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Benzoic acid


  • SKU Code: CH136495
Chemical Name - Benzoic acid
Mol Weight - 122.123
Smiles - OC(c1ccccc1)=O
Property Name Property Value
Mol NameBenzoic acid
Molweight122.123
Monoisotopic Mass122.03678
Clogp1.1447
Clogs-1.629
H Acceptors2
H Donors1
Total Surface Area97.36
Relative Psa0.26849
Polar Surface Area37.3
Druglikeness-1.8442
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.66667
Molecular Flexibility0.4098
Molecular Complexity0.62123
Fragments1
Non H Atoms9
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms1
Symmetric Atoms2
Acidic Oxygens1
SmilesOC(c1ccccc1)=O

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