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Chem 4 Iodotoluene | Cheminformatics

4 - Iodotoluene


  • SKU Code: CH137248
Chemical Name - 4 - Iodotoluene
Mol Weight - 218.033
Smiles - Cc(cc1)ccc1I
Property Name Property Value
Mol Name4 - Iodotoluene
Molweight218.033
Monoisotopic Mass217.959248
Clogp2.4406
Clogs-2.976
Total Surface Area111.8
Druglikeness-0.965
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.75
Molecular Complexity0.59947
Fragments1
Non H Atoms8
Non Ch Atoms1
Electronegative Atoms1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms1
Symmetric Atoms2
SmilesCc(cc1)ccc1I
InChIKeyInChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIUDHAWRUAECEBHC-UHFFFAOYSA-N

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