Chemical Name - Nerol
Mol Weight - 154.252
Smiles - CC(C)=CCC/C(/C)=CCO
Mol Weight - 154.252
Smiles - CC(C)=CCC/C(/C)=CCO
| Property Value | |
| Mol Name | Nerol |
| Molweight | 154.252 |
| Monoisotopic Mass | 154.135765 |
| Clogp | 3.4853 |
| Clogs | -1.889 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 147.33 |
| Relative Psa | 0.088916 |
| Polar Surface Area | 20.23 |
| Druglikeness | -3.5697 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.81818 |
| Molecular Flexibility | 0.69884 |
| Molecular Complexity | 0.46052 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 1 |
| Smiles | CC(C)=CCC/C(/C)=CCO |
| InChIKey | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3 |
| InChI | GLZPCOQZEFWAFX-UHFFFAOYSA-N |
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