Chem Ethylbenzene | Cheminformatics
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2D Structure

Ethylbenzene


  • SKU Code: CH137751
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Chemical Name - Ethylbenzene
Mol Weight - 106.167
Smiles - CCc1ccccc1
Property Name Property Value
Mol NameEthylbenzene
Molweight106.167
Monoisotopic Mass106.07825
Clogp2.4191
Clogs-2.119
Total Surface Area99.28
Druglikeness-2.68
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.75
Molecular Flexibility0.30873
Molecular Complexity0.54931
Fragments1
Non H Atoms8
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Symmetric Atoms2
SmilesCCc1ccccc1
InChIKeyInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIYNQLUTRBYVCPMQ-UHFFFAOYSA-N

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