Mol Weight - 134.605
Smiles - CCCCC(CCl)=O.CC(CCCCCl)=O
| Property Name | Property Value |
| Mol Name | Chlorohexanone (6-Chloro-2-Hexanone) |
| Molweight | 134.605 |
| Monoisotopic Mass | 134.049842 |
| Clogp | 1.9711 |
| Clogs | -2.117 |
| H Acceptors | 1 |
| Total Surface Area | 113.97 |
| Relative Psa | 0.11442 |
| Polar Surface Area | 17.07 |
| Druglikeness | -6.34 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.875 |
| Molecular Flexibility | 0.56411 |
| Molecular Complexity | 0.64864 |
| Fragments | 2 |
| Non H Atoms | 8 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 5 |
| Smiles | CCCCC(CCl)=O.CC(CCCCCl)=O |
| InChIKey | InChI=1S/2C6H11ClO/c1-6(8)4-2-3-5-7;1-2-3-4-6(8)5-7/h2*2-5H2,1H3 |
| InChI | FJEJPYVZLFJSJZ-UHFFFAOYSA-N |
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1 — Chlorohexanone (6-Chloro-2-Hexanone) | 2 — Chlorohexanone (6-Chloro-2-Hexanone)