Mol Weight - 156.611
Smiles - Cc1cc(O)cc(C)c1Cl
| Property Name | Property Value |
| Mol Name | (4-Chloro-3, 5-dimethylphenol) |
| Molweight | 156.611 |
| Monoisotopic Mass | 156.034192 |
| Clogp | 2.6077 |
| Clogs | -2.744 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 119.55 |
| Relative Psa | 0.10958 |
| Polar Surface Area | 20.23 |
| Druglikeness | -2.0981 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.6 |
| Molecular Complexity | 0.65917 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 3 |
| Smiles | Cc1cc(O)cc(C)c1Cl |
| InChIKey | InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3 |
| InChI | OSDLLIBGSJNGJE-UHFFFAOYSA-N |
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1 — (4-Chloro-3, 5-dimethylphenol) | 2 — (4-Chloro-3, 5-dimethylphenol)