Mol Weight - 240.056
Smiles - Cc1cccc(C(N2Br)=O)c1C2=O
| Property Name | Property Value |
| Mol Name | N-Bromo methyl phthalimide |
| Molweight | 240.056 |
| Monoisotopic Mass | 238.95819 |
| Clogp | 1.4854 |
| Clogs | -2.6 |
| H Acceptors | 3 |
| Total Surface Area | 136.45 |
| Relative Psa | 0.21715 |
| Polar Surface Area | 37.38 |
| Druglikeness | 0.60619 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.46154 |
| Molecular Complexity | 0.73369 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Smiles | Cc1cccc(C(N2Br)=O)c1C2=O |
| InChIKey | InChI=1S/C9H6BrNO2/c1-5-3-2-4-6-7(5)9(13)11(10)8(6)12/h2-4H,1H3 |
| InChI | AGZRZKXUPQYEHE-UHFFFAOYSA-N |
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1 — N-Bromo methyl phthalimide | 2 — N-Bromo methyl phthalimide