Chemical Name - CYCLOHEXANONE
Mol Weight - 98.1444
Smiles - O=C1CCCCC1
Mol Weight - 98.1444
Smiles - O=C1CCCCC1
| Property Value | |
| Mol Name | CYCLOHEXANONE |
| Molweight | 98.1444 |
| Monoisotopic Mass | 98.073165 |
| Clogp | 1.3436 |
| Clogs | -1.802 |
| H Acceptors | 1 |
| Total Surface Area | 86.55 |
| Relative Psa | 0.15066 |
| Polar Surface Area | 17.07 |
| Druglikeness | -9.3155 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.36526 |
| Molecular Complexity | 0.64864 |
| Non H Atoms | 7 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 2 |
| Smiles | O=C1CCCCC1 |
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