Chemical Name - 3-Iodobenzyl alcohol
Mol Weight - 234.032
Smiles - OCc1cccc(I)c1
Mol Weight - 234.032
Smiles - OCc1cccc(I)c1
| Property Value | |
| Mol Name | 3-Iodobenzyl alcohol |
| Molweight | 234.032 |
| Monoisotopic Mass | 233.954163 |
| Clogp | 1.4994 |
| Clogs | -2.516 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 119.65 |
| Relative Psa | 0.10949 |
| Polar Surface Area | 20.23 |
| Druglikeness | -1.0949 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.28257 |
| Molecular Complexity | 0.67701 |
| 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 | OCc1cccc(I)c1 |
| InChIKey | InChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2 |
| InChI | QGCCNWSXJHGUNL-UHFFFAOYSA-N |
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1 - 3-Iodobenzyl alcohol
2 - 3-Iodobenzyl alcohol
1 - 3-Iodobenzyl alcohol
2 - 3-Iodobenzyl alcohol
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