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Chem 4 Iodoaniline | Cheminformatics

4-Iodoaniline


  • SKU Code: CH137250
Chemical Name - 4-Iodoaniline
Mol Weight - 219.021
Smiles - Nc(cc1)ccc1I
Property Name Property Value
Mol Name4-Iodoaniline
Molweight219.021
Monoisotopic Mass218.954497
Clogp1.4194
Clogs-2.708
H Acceptors1
H Donors1
Total Surface Area108.06
Relative Psa0.14131
Polar Surface Area26.02
Druglikeness-0.67145
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.75
Molecular Complexity0.59947
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Symmetric Atoms2
Amines1
Aromatic Amines1
SmilesNc(cc1)ccc1I
InChIKeyInChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIVLVCDUSVTXIWGW-UHFFFAOYSA-N

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1 - 4-Iodoaniline
2 - 4-Iodoaniline
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