Chemical Name - 2-Iodoanisole
Mol Weight - 234.032
Smiles - COc(cccc1)c1I
Mol Weight - 234.032
Smiles - COc(cccc1)c1I
| Property Value | |
| Mol Name | 2-Iodoanisole |
| Molweight | 234.032 |
| Monoisotopic Mass | 233.954163 |
| Clogp | 2.0267 |
| Clogs | -2.65 |
| H Acceptors | 1 |
| Total Surface Area | 121.8 |
| Relative Psa | 0.082102 |
| Polar Surface Area | 9.23 |
| Druglikeness | -0.95884 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.28257 |
| Molecular Complexity | 0.7083 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Smiles | COc(cccc1)c1I |
| InChIKey | InChI=1S/C7H7IO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3 |
| InChI | DVQWNQBEUKXONL-UHFFFAOYSA-N |
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