Chemical Name - Benzyl Acrylate
Mol Weight - 162.187
Smiles - C=CC(OCc1ccccc1)=O
Mol Weight - 162.187
Smiles - C=CC(OCc1ccccc1)=O
| Property Value | |
| Mol Name | Benzyl Acrylate |
| Molweight | 162.187 |
| Monoisotopic Mass | 162.06808 |
| Clogp | 1.8158 |
| Clogs | -2.119 |
| H Acceptors | 2 |
| Total Surface Area | 139.31 |
| Relative Psa | 0.16539 |
| Polar Surface Area | 26.3 |
| Druglikeness | -13.309 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.47094 |
| Molecular Complexity | 0.4621 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 2 |
| Smiles | C=CC(OCc1ccccc1)=O |
| InChIKey | InChI=1S/C10H10O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7H,1,8H2 |
| InChI | GCTPMLUUWLLESL-UHFFFAOYSA-N |
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1 - Benzyl Acrylate
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