Chemical Name - 4-Bromoacetanilide
Mol Weight - 214.062
Smiles - CC(Nc(cc1)ccc1Br)=O
Mol Weight - 214.062
Smiles - CC(Nc(cc1)ccc1Br)=O
| Property Value | |
| Mol Name | 4-Bromoacetanilide |
| Molweight | 214.062 |
| Monoisotopic Mass | 212.978925 |
| Clogp | 2.0885 |
| Clogs | -2.792 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 133.36 |
| Relative Psa | 0.18371 |
| Polar Surface Area | 29.1 |
| Druglikeness | -1.3571 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.72727 |
| Molecular Flexibility | 0.32652 |
| Molecular Complexity | 0.63561 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 2 |
| Amides | 1 |
| Smiles | CC(Nc(cc1)ccc1Br)=O |
| InChIKey | InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11) |
| InChI | MSLICLMCQYQNPK-UHFFFAOYSA-N |
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