Chemical Name - Chloranil
Mol Weight - 245.876
Smiles - O=C(C(Cl)=C(C1=O)Cl)C(Cl)=C1Cl
Mol Weight - 245.876
Smiles - O=C(C(Cl)=C(C1=O)Cl)C(Cl)=C1Cl
| Property Value | |
| Mol Name | Chloranil |
| Molweight | 245.876 |
| Monoisotopic Mass | 243.865238 |
| Clogp | 1.7616 |
| Clogs | -3.762 |
| H Acceptors | 2 |
| Total Surface Area | 143.02 |
| Relative Psa | 0.18235 |
| Polar Surface Area | 34.14 |
| Druglikeness | -1.5979 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | 1 |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.013035 |
| Molecular Complexity | 0.74811 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Symmetric Atoms | 8 |
| Smiles | O=C(C(Cl)=C(C1=O)Cl)C(Cl)=C1Cl |
| InChIKey | InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11 |
| InChI | UGNWTBMOAKPKBL-UHFFFAOYSA-N |
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