Chemical Name - Benzyl-Bromide
Mol Weight - 171.037
Smiles - BrCc1ccccc1
Mol Weight - 171.037
Smiles - BrCc1ccccc1
| Property Value | |
| Mol Name | Benzyl-Bromide |
| Molweight | 171.037 |
| Monoisotopic Mass | 169.973111 |
| Clogp | 2.3247 |
| Clogs | -2.876 |
| Total Surface Area | 105.65 |
| Druglikeness | -7.8241 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.30873 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 2 |
| Smiles | BrCc1ccccc1 |
| InChIKey | InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChI | AGEZXYOZHKGVCM-UHFFFAOYSA-N |
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