Chemical Name - Allyl Caproate
Mol Weight - 156.224
Smiles - CCCCCC(OCC=C)=O
Mol Weight - 156.224
Smiles - CCCCCC(OCC=C)=O
| Property Value | |
| Mol Name | Allyl Caproate |
| Molweight | 156.224 |
| Monoisotopic Mass | 156.11503 |
| Clogp | 2.6216 |
| Clogs | -2.176 |
| H Acceptors | 2 |
| Total Surface Area | 146.85 |
| Relative Psa | 0.15689 |
| Polar Surface Area | 26.3 |
| Druglikeness | -25.391 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.90909 |
| Molecular Flexibility | 0.63864 |
| Molecular Complexity | 0.46052 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 7 |
| Sp3 Atoms | 7 |
| Smiles | CCCCCC(OCC=C)=O |
| InChIKey | InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 |
| InChI | RCSBILYQLVXLJG-UHFFFAOYSA-N |
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