Chemical Name - Benzyl Acetate
Mol Weight - 150.176
Smiles - CC(OCc1ccccc1)=O
Mol Weight - 150.176
Smiles - CC(OCc1ccccc1)=O
| Property Value | |
| Mol Name | Benzyl Acetate |
| Molweight | 150.176 |
| Monoisotopic Mass | 150.06808 |
| Clogp | 1.5469 |
| Clogs | -1.91 |
| H Acceptors | 2 |
| Total Surface Area | 127.03 |
| Relative Psa | 0.18137 |
| Polar Surface Area | 26.3 |
| Druglikeness | -1.7309 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.72727 |
| Molecular Flexibility | 0.43651 |
| Molecular Complexity | 0.52781 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 2 |
| Smiles | CC(OCc1ccccc1)=O |
| InChIKey | InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChI | QUKGYYKBILRGFE-UHFFFAOYSA-N |
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