Chemical Name - 4-Chlorothymol
Mol Weight - 184.665
Smiles - CC(C)c1cc(Cl)c(C)cc1O
Mol Weight - 184.665
Smiles - CC(C)c1cc(Cl)c(C)cc1O
| Property Value | |
| Mol Name | 4-Chlorothymol |
| Molweight | 184.665 |
| Monoisotopic Mass | 184.065492 |
| Clogp | 3.4508 |
| Clogs | -3.271 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 144.31 |
| Relative Psa | 0.090777 |
| Polar Surface Area | 20.23 |
| Druglikeness | -2.1442 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.58333 |
| Molecular Flexibility | 0.28778 |
| Molecular Complexity | 0.69573 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 1 |
| Smiles | CC(C)c1cc(Cl)c(C)cc1O |
| InChIKey | InChI=1S/C10H13ClO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3 |
| InChI | KFZXVMNBUMVKLN-UHFFFAOYSA-N |
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