Chemical Name - 3-Iodotoluene
Mol Weight - 218.033
Smiles - Cc1cccc(I)c1
Mol Weight - 218.033
Smiles - Cc1cccc(I)c1
| Property Value | |
| Mol Name | 3-Iodotoluene |
| Molweight | 218.033 |
| Monoisotopic Mass | 217.959248 |
| Clogp | 2.4406 |
| Clogs | -2.976 |
| Total Surface Area | 111.8 |
| Druglikeness | -0.965 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.625 |
| Molecular Complexity | 0.62123 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Smiles | Cc1cccc(I)c1 |
| InChIKey | InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 |
| InChI | VLCPISYURGTGLP-UHFFFAOYSA-N |
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