Chemical Name - 3-Methyl-2-Cyclohexene-1-One
Mol Weight - 110.155
Smiles - CC(CCC1)=CC1=O
Mol Weight - 110.155
Smiles - CC(CCC1)=CC1=O
| Property Value | |
| Mol Name | 3-Methyl-2-Cyclohexene-1-One |
| Molweight | 110.155 |
| Monoisotopic Mass | 110.073165 |
| Clogp | 1.5084 |
| Clogs | -1.698 |
| H Acceptors | 1 |
| Total Surface Area | 96 |
| Relative Psa | 0.13583 |
| Polar Surface Area | 17.07 |
| Druglikeness | -5.88 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.625 |
| Molecular Flexibility | 0.18707 |
| Molecular Complexity | 0.67701 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 4 |
| Smiles | CC(CCC1)=CC1=O |
| InChIKey | InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3 |
| InChI | IITQJMYAYSNIMI-UHFFFAOYSA-N |
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1 - 3-Methyl-2-Cyclohexene-1-One
2 - 3-Methyl-2-Cyclohexene-1-One
1 - 3-Methyl-2-Cyclohexene-1-One
2 - 3-Methyl-2-Cyclohexene-1-One
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