Chemical Name - Atropaldehyde
Mol Weight - 132.162
Smiles - C=C(C=O)c1ccccc1
Mol Weight - 132.162
Smiles - C=C(C=O)c1ccccc1
| Property Value | |
| Mol Name | Atropaldehyde |
| Molweight | 132.162 |
| Monoisotopic Mass | 132.057515 |
| Clogp | 1.4439 |
| Clogs | -1.858 |
| H Acceptors | 1 |
| Total Surface Area | 115.55 |
| Relative Psa | 0.11285 |
| Polar Surface Area | 17.07 |
| Druglikeness | -6.5488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.7 |
| Molecular Flexibility | 0.41648 |
| Molecular Complexity | 0.55452 |
| 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 | C=C(C=O)c1ccccc1 |
| InChIKey | InChI=1S/C9H8O/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H2 |
| InChI | ZFBRJUBOJXNIQM-UHFFFAOYSA-N |
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1 - Atropaldehyde
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2 - Atropaldehyde
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