Chemical Name - Acetophenon
Mol Weight - 120.151
Smiles - CC(c1ccccc1)=O
Mol Weight - 120.151
Smiles - CC(c1ccccc1)=O
| Property Value | |
| Mol Name | Acetophenon |
| Molweight | 120.151 |
| Monoisotopic Mass | 120.057515 |
| Clogp | 1.5308 |
| Clogs | -2.3 |
| H Acceptors | 1 |
| Total Surface Area | 103.27 |
| Relative Psa | 0.12627 |
| Polar Surface Area | 17.07 |
| Druglikeness | -1.9442 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.4098 |
| Molecular Complexity | 0.62123 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 2 |
| Smiles | CC(c1ccccc1)=O |
| InChIKey | InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChI | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
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