Chemical Name - 4-Fluoroaniline
Mol Weight - 111.119
Smiles - Nc(cc1)ccc1F
Mol Weight - 111.119
Smiles - Nc(cc1)ccc1F
| Property Value | |
| Mol Name | 4-Fluoroaniline |
| Molweight | 111.119 |
| Monoisotopic Mass | 111.048427 |
| Clogp | 1.0831 |
| Clogs | -2.006 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 88.13 |
| Relative Psa | 0.17327 |
| Polar Surface Area | 26.02 |
| Druglikeness | -3.2484 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.75 |
| Molecular Complexity | 0.59947 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetric Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Smiles | Nc(cc1)ccc1F |
| InChIKey | InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 |
| InChI | KRZCOLNOCZKSDF-UHFFFAOYSA-N |
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1 - 4-Fluoroaniline
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