Chemical Name - Methyl Heptyl Ketone
Mol Weight - 142.241
Smiles - CCCCCCCC(C)=O
Mol Weight - 142.241
Smiles - CCCCCCCC(C)=O
| Property Value | |
| Mol Name | Methyl Heptyl Ketone |
| Molweight | 142.241 |
| Monoisotopic Mass | 142.135765 |
| Clogp | 3.105 |
| Clogs | -2.526 |
| H Acceptors | 1 |
| Total Surface Area | 138.33 |
| Relative Psa | 0.094267 |
| Polar Surface Area | 17.07 |
| Druglikeness | -26.929 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.9 |
| Molecular Flexibility | 0.54147 |
| Molecular Complexity | 0.48648 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 6 |
| Sp3 Atoms | 8 |
| Smiles | CCCCCCCC(C)=O |
| InChIKey | InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3 |
| InChI | VKCYHJWLYTUGCC-UHFFFAOYSA-N |
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1 - Methyl Heptyl Ketone
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1 - Methyl Heptyl Ketone
2 - Methyl Heptyl Ketone
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