Chem Benzonitrile | Cheminformatics
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2D Structure

Benzonitrile


  • SKU Code: CH138368
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Chemical Name - Benzonitrile
Mol Weight - 103.124
Smiles - N#Cc1ccccc1
Property Name Property Value
Mol NameBenzonitrile
Molweight103.124
Monoisotopic Mass103.042199
Clogp1.4952
Clogs-2.389
H Acceptors1
Total Surface Area94.97
Relative Psa0.14278
Polar Surface Area23.79
Druglikeness-6.0498
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.75
Molecular Complexity0.54931
Fragments1
Non H Atoms8
Non Ch Atoms1
Electronegative Atoms1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Symmetric Atoms2
SmilesN#Cc1ccccc1
InChIKeyInChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
InChIJFDZBHWFFUWGJE-UHFFFAOYSA-N

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