Chemical Name - Cinnamaldehyde
Mol Weight - 132.162
Smiles - O=CC=Cc1ccccc1
Mol Weight - 132.162
Smiles - O=CC=Cc1ccccc1
| Property Value | |
| Mol Name | Cinnamaldehyde |
| Molweight | 132.162 |
| Monoisotopic Mass | 132.057515 |
| Clogp | 1.6112 |
| Clogs | -2.232 |
| H Acceptors | 1 |
| Total Surface Area | 119.3 |
| Relative Psa | 0.1093 |
| Polar Surface Area | 17.07 |
| Druglikeness | -5.3892 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.8 |
| Molecular Flexibility | 0.38051 |
| Molecular Complexity | 0.49698 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetric Atoms | 2 |
| Smiles | O=CC=Cc1ccccc1 |
| InChIKey | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H |
| InChI | KJPRLNWUNMBNBZ-UHFFFAOYSA-N |
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1 - Cinnamaldehyde
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