Chem Toluene 2 Kaiser | Cheminformatics
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2D Structure

Toluene


  • SKU Code: CH139955
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Chemical Name - Toluene
Mol Weight - 92.1405
Smiles - Cc1ccccc1
Property Name Property Value
Mol NameToluene
Molweight92.1405
Monoisotopic Mass92.0626
Clogp2.0035
Clogs-1.96
Total Surface Area85.52
Druglikeness-2.4599
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.71429
Molecular Complexity0.64864
Fragments1
Non H Atoms7
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms1
Symmetric Atoms2
SmilesCc1ccccc1
InChIKeyInChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIYXFVVABEGXRONW-UHFFFAOYSA-N

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