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Chem Mono Nitrobenzene | Cheminformatics

Mono Nitrobenzene


  • SKU Code: CH137068
Chemical Name - Mono Nitrobenzene
Mol Weight - 123.111
Smiles - [O-][N+](c1ccccc1)=O
Property Name Property Value
Mol NameMono Nitrobenzene
Molweight123.111
Monoisotopic Mass123.032029
Clogp0.738
Clogs-2.076
H Acceptors3
Total Surface Area96.93
Relative Psa0.31383
Polar Surface Area45.82
Druglikeness-7.74
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Shape Index0.66667
Molecular Flexibility0.4098
Molecular Complexity0.62123
Fragments1
Non H Atoms9
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms1
Symmetric Atoms2
Acidic Oxygens1
Smiles[O-][N+](c1ccccc1)=O
InChIKeyInChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChILQNUZADURLCDLV-UHFFFAOYSA-N

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1 - Mono Nitrobenzene
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