Chemical Name - 4-Anisaldehyde
Mol Weight - 136.15
Smiles - COc1ccc(C=O)cc1
Mol Weight - 136.15
Smiles - COc1ccc(C=O)cc1
| Property Value | |
| Mol Name | 4-Anisaldehyde |
| Molweight | 136.15 |
| Monoisotopic Mass | 136.05243 |
| Clogp | 1.5229 |
| Clogs | -1.958 |
| H Acceptors | 2 |
| Total Surface Area | 115.06 |
| Relative Psa | 0.20024 |
| Polar Surface Area | 26.3 |
| Druglikeness | -3.9857 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.8 |
| Molecular Flexibility | 0.41782 |
| Molecular Complexity | 0.57807 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 2 |
| Smiles | COc1ccc(C=O)cc1 |
| InChIKey | InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3 |
| InChI | ZRSNZINYAWTAHE-UHFFFAOYSA-N |
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1 - 4-Anisaldehyde
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1 - 4-Anisaldehyde
2 - 4-Anisaldehyde
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