Chem 3 Iodobenzyl Alcohol Infi | Cheminformatics
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2D Structure

3-Iodobenzyl alcohol


  • SKU Code: CH141631
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Chemical Name - 3-Iodobenzyl alcohol
Mol Weight - 234.032
Smiles - OCc1cccc(I)c1
Property Name Property Value
Mol Name3-Iodobenzyl alcohol
Molweight234.032
Monoisotopic Mass233.954163
Clogp1.4994
Clogs-2.516
H Acceptors1
H Donors1
Total Surface Area119.65
Relative Psa0.10949
Polar Surface Area20.23
Druglikeness-1.0949
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.28257
Molecular Complexity0.67701
Fragments1
Non H Atoms9
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
SmilesOCc1cccc(I)c1
InChIKeyInChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIQGCCNWSXJHGUNL-UHFFFAOYSA-N

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