Chemical Name - Anethol
Mol Weight - 148.204
Smiles - CC=Cc(cc1)ccc1OC
Mol Weight - 148.204
Smiles - CC=Cc(cc1)ccc1OC
| Property Value | |
| Mol Name | Anethol |
| Molweight | 148.204 |
| Monoisotopic Mass | 148.088815 |
| Clogp | 2.6802 |
| Clogs | -2.542 |
| H Acceptors | 1 |
| Total Surface Area | 134.28 |
| Relative Psa | 0.074471 |
| Polar Surface Area | 9.23 |
| Druglikeness | -4.0375 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.81818 |
| Molecular Flexibility | 0.42045 |
| Molecular Complexity | 0.6089 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 2 |
| Smiles | CC=Cc(cc1)ccc1OC |
| InChIKey | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3 |
| InChI | RUVINXPYWBROJD-UHFFFAOYSA-N |
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