Chemical Name - Eugenol
Mol Weight - 164.203
Smiles - COc(cc(CC=C)cc1)c1O
Mol Weight - 164.203
Smiles - COc(cc(CC=C)cc1)c1O
| Property Value | |
| Mol Name | Eugenol |
| Molweight | 164.203 |
| Monoisotopic Mass | 164.08373 |
| Clogp | 2.2723 |
| Clogs | -2.05 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 140.17 |
| Relative Psa | 0.1648 |
| Polar Surface Area | 29.46 |
| Druglikeness | -4.6405 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.46529 |
| Molecular Complexity | 0.652 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 4 |
| Smiles | COc(cc(CC=C)cc1)c1O |
| InChIKey | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 |
| InChI | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
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1 - Eugenol
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