Chemical Name - 1-Iodoheptane
Mol Weight - 226.096
Smiles - CCCCCCCI
Mol Weight - 226.096
Smiles - CCCCCCCI
| Property Value | |
| Mol Name | 1-Iodoheptane |
| Molweight | 226.096 |
| Monoisotopic Mass | 226.021848 |
| Clogp | 3.8619 |
| Clogs | -2.458 |
| Total Surface Area | 134.6 |
| Druglikeness | -21.411 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 1 |
| Molecular Flexibility | 0.53776 |
| Molecular Complexity | 0.53648 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 5 |
| Sp3 Atoms | 7 |
| Smiles | CCCCCCCI |
| InChIKey | InChI=1S/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H3 |
| InChI | LMHCYRULPLGEEZ-UHFFFAOYSA-N |
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1 - 1-Iodoheptane
2 - 1-Iodoheptane
1 - 1-Iodoheptane
2 - 1-Iodoheptane
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