Chemical Name - 4-Methyl cyclohexanone
Mol Weight - 112.171
Smiles - CC(CC1)CCC1=O
Mol Weight - 112.171
Smiles - CC(CC1)CCC1=O
| Property Value | |
| Mol Name | 4-Methyl cyclohexanone |
| Molweight | 112.171 |
| Monoisotopic Mass | 112.088815 |
| Clogp | 1.6129 |
| Clogs | -1.962 |
| H Acceptors | 1 |
| Total Surface Area | 97.55 |
| Relative Psa | 0.13368 |
| Polar Surface Area | 17.07 |
| Druglikeness | -3.1881 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.18169 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 2 |
| Smiles | CC(CC1)CCC1=O |
| InChIKey | InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3 |
| InChI | VGVHNLRUAMRIEW-UHFFFAOYSA-N |
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1 - 4-Methyl cyclohexanone
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1 - 4-Methyl cyclohexanone
2 - 4-Methyl cyclohexanone
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