Chem 4 Iodoanisole Infi | Cheminformatics
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2D Structure

4-Iodoanisole


  • SKU Code: CH141634
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Chemical Name - 4-Iodoanisole
Mol Weight - 234.032
Smiles - COc(cc1)ccc1I
Property Name Property Value
Mol Name4-Iodoanisole
Molweight234.032
Monoisotopic Mass233.954163
Clogp2.0267
Clogs-2.65
H Acceptors1
Total Surface Area121.8
Relative Psa0.082102
Polar Surface Area9.23
Druglikeness-0.95884
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.77778
Molecular Flexibility0.28257
Molecular Complexity0.65976
Fragments1
Non H Atoms9
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Symmetric Atoms2
SmilesCOc(cc1)ccc1I
InChIKeyInChI=1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChISYSZENVIJHPFNL-UHFFFAOYSA-N

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