Chemical Name - N-ethyl Aniline
Mol Weight - 121.182
Smiles - CCNc1ccccc1
Mol Weight - 121.182
Smiles - CCNc1ccccc1
| Property Value | |
| Mol Name | N-ethyl Aniline |
| Molweight | 121.182 |
| Monoisotopic Mass | 121.089149 |
| Clogp | 1.7129 |
| Clogs | -1.976 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 110.74 |
| Relative Psa | 0.10349 |
| Polar Surface Area | 12.03 |
| Druglikeness | -0.30497 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.42528 |
| Molecular Complexity | 0.57565 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Smiles | CCNc1ccccc1 |
| InChIKey | InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 |
| InChI | OJGMBLNIHDZDGS-UHFFFAOYSA-N |
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1 - N-ethyl Aniline
2 - N-ethyl Aniline
1 - N-ethyl Aniline
2 - N-ethyl Aniline
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