Chemical Name - Linalool Oxide
Mol Weight - 170.251
Smiles - CC(CCC=C(C)C)(C1OC1)O
Mol Weight - 170.251
Smiles - CC(CCC=C(C)C)(C1OC1)O
| Property Value | |
| Mol Name | Linalool Oxide |
| Molweight | 170.251 |
| Monoisotopic Mass | 170.13068 |
| Clogp | 2.1717 |
| Clogs | -1.785 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 149.68 |
| Relative Psa | 0.20544 |
| Polar Surface Area | 32.76 |
| Druglikeness | -3.5061 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.72339 |
| Molecular Complexity | 0.58773 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Stereo Centers | 2 |
| Rotatable Bonds | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 10 |
| Symmetric Atoms | 1 |
| Smiles | CC(CCC=C(C)C)(C1OC1)O |
| InChIKey | InChI=1S/C10H18O2/c1-8(2)5-4-6-10(3,11)9-7-12-9/h5,9,11H,4,6-7H2,1-3H3 |
| InChI | BXOURKNXQXLKRK-UHFFFAOYSA-N |
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