Chemical Name - 2,4-Dichlorophenol
Mol Weight - 163.003
Smiles - Oc(ccc(Cl)c1)c1Cl
Mol Weight - 163.003
Smiles - Oc(ccc(Cl)c1)c1Cl
| Property Value | |
| Mol Name | 2,4-Dichlorophenol |
| Molweight | 163.003 |
| Monoisotopic Mass | 161.963919 |
| Clogp | 2.5259 |
| Clogs | -2.792 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 110.45 |
| Relative Psa | 0.11861 |
| Polar Surface Area | 20.23 |
| Druglikeness | -2.05 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.66667 |
| Molecular Complexity | 0.72259 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Smiles | Oc(ccc(Cl)c1)c1Cl |
| InChIKey | InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H |
| InChI | HFZWRUODUSTPEG-UHFFFAOYSA-N |
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1 - 2,4-Dichlorophenol
2 - 2,4-Dichlorophenol
1 - 2,4-Dichlorophenol
2 - 2,4-Dichlorophenol
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