Chem 95 N Ethyl Aniline | Cheminformatics
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2D Structure

N-ethyl Aniline


  • SKU Code: CH139626
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Chemical Name - N-ethyl Aniline
Mol Weight - 121.182
Smiles - CCNc1ccccc1
Property Name Property Value
Mol NameN-ethyl Aniline
Molweight121.182
Monoisotopic Mass121.089149
Clogp1.7129
Clogs-1.976
H Acceptors1
H Donors1
Total Surface Area110.74
Relative Psa0.10349
Polar Surface Area12.03
Druglikeness-0.30497
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.77778
Molecular Flexibility0.42528
Molecular Complexity0.57565
Fragments1
Non H Atoms9
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Symmetric Atoms2
Amines1
Aromatic Amines1
SmilesCCNc1ccccc1
InChIKeyInChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIOJGMBLNIHDZDGS-UHFFFAOYSA-N

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