Chemical Name - Thymol
Mol Weight - 150.22
Smiles - CC(C)c(ccc(C)c1)c1O
Mol Weight - 150.22
Smiles - CC(C)c(ccc(C)c1)c1O
| Property Value | |
| Mol Name | Thymol |
| Molweight | 150.22 |
| Monoisotopic Mass | 150.104465 |
| Clogp | 2.8448 |
| Clogs | -2.535 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 128.89 |
| Relative Psa | 0.10164 |
| Polar Surface Area | 20.23 |
| Druglikeness | -2.3359 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.63636 |
| Molecular Flexibility | 0.30538 |
| Molecular Complexity | 0.70527 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 1 |
| Smiles | CC(C)c(ccc(C)c1)c1O |
| InChIKey | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 |
| InChI | MGSRCZKZVOBKFT-UHFFFAOYSA-N |
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