Chemical Name - BENZYLIDENE ACETONE
Mol Weight - 146.188
Smiles - CC(C=Cc1ccccc1)=O
Mol Weight - 146.188
Smiles - CC(C=Cc1ccccc1)=O
| Property Value | |
| Mol Name | BENZYLIDENE ACETONE |
| Molweight | 146.188 |
| Monoisotopic Mass | 146.073165 |
| Clogp | 2.1516 |
| Clogs | -2.446 |
| H Acceptors | 1 |
| Total Surface Area | 129.77 |
| Relative Psa | 0.10049 |
| Polar Surface Area | 17.07 |
| Druglikeness | -2.9875 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.72727 |
| Molecular Flexibility | 0.48278 |
| Molecular Complexity | 0.52781 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 2 |
| Smiles | CC(C=Cc1ccccc1)=O |
| InChIKey | |
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