Chemical Name - Linalool
Mol Weight - 154.252
Smiles - CC(CCC=C(C)C)(C=C)O
Mol Weight - 154.252
Smiles - CC(CCC=C(C)C)(C=C)O
| Property Value | |
| Mol Name | Linalool |
| Molweight | 154.252 |
| Monoisotopic Mass | 154.135765 |
| Clogp | 3.2311 |
| Clogs | -2.149 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 143.81 |
| Relative Psa | 0.091092 |
| Polar Surface Area | 20.23 |
| Druglikeness | -6.6846 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.72727 |
| Molecular Flexibility | 0.77933 |
| Molecular Complexity | 0.51299 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Stereo Centers | 1 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 1 |
| Smiles | CC(CCC=C(C)C)(C=C)O |
| InChIKey | InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3 |
| InChI | CDOSHBSSFJOMGT-UHFFFAOYSA-N |
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