Chemical Name - Nerolidol
Mol Weight - 222.37
Smiles - CC(CCC=C(C)CCC=C(C)C)(C=C)O
Mol Weight - 222.37
Smiles - CC(CCC=C(C)CCC=C(C)C)(C=C)O
| Property Value | |
| Mol Name | Nerolidol |
| Molweight | 222.37 |
| Monoisotopic Mass | 222.198365 |
| Clogp | 5.4029 |
| Clogs | -3.125 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 208.3 |
| Relative Psa | 0.06289 |
| Polar Surface Area | 20.23 |
| Druglikeness | -6.3784 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.74822 |
| Molecular Complexity | 0.45401 |
| Fragments | 1 |
| Non H Atoms | 16 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Stereo Centers | 1 |
| Rotatable Bonds | 7 |
| Sp3 Atoms | 10 |
| Symmetric Atoms | 1 |
| Smiles | CC(CCC=C(C)CCC=C(C)C)(C=C)O |
| InChIKey | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3 |
| InChI | FQTLCLSUCSAZDY-UHFFFAOYSA-N |
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