Chemical Name - Neopentyl iodide
Mol Weight - 198.042
Smiles - CC(C)(C)CI
Mol Weight - 198.042
Smiles - CC(C)(C)CI
| Property Value | |
| Mol Name | Neopentyl iodide |
| Molweight | 198.042 |
| Monoisotopic Mass | 197.990548 |
| Clogp | 2.8284 |
| Clogs | -1.715 |
| Total Surface Area | 100.73 |
| Druglikeness | -6.2614 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.68141 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 2 |
| Smiles | CC(C)(C)CI |
| InChIKey | InChI=1S/C5H11I/c1-5(2,3)4-6/h4H2,1-3H3 |
| InChI | CJTZXIJETZZARD-UHFFFAOYSA-N |
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