Mol Weight - 227.006
Smiles - N#CC(C(C(Cl)=C(C1=O)Cl)=O)=C1C#N
| Property Name | Property Value |
| Mol Name | 2,3-Dichloro-5,6-Dicyanobenzoquinone |
| Molweight | 227.006 |
| Monoisotopic Mass | 225.933682 |
| Clogp | 0.2946 |
| Clogs | -2.924 |
| H Acceptors | 4 |
| Total Surface Area | 155.6 |
| Relative Psa | 0.3419 |
| Polar Surface Area | 81.72 |
| Druglikeness | -6.6305 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.015601 |
| Molecular Complexity | 0.75761 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Symmetric Atoms | 7 |
| Smiles | N#CC(C(C(Cl)=C(C1=O)Cl)=O)=C1C#N |
| InChIKey | InChI=1S/C8Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13 |
| InChI | HZNVUJQVZSTENZ-UHFFFAOYSA-N |
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1 — 2,3-Dichloro-5,6-Dicyanobenzoquinone | 2 — 2,3-Dichloro-5,6-Dicyanobenzoquinone