Mol Weight - 208.984
Smiles - OC(C(C(Cl)=C(C1=O)O)=O)=C1Cl
| Property Name | Property Value |
| Mol Name | (2,5-Dichloro-3,6-dihydroxy-p-benzoquinone) |
| Molweight | 208.984 |
| Monoisotopic Mass | 207.933014 |
| Clogp | -0.0766 |
| Clogs | -2.242 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 124.88 |
| Relative Psa | 0.41864 |
| Polar Surface Area | 74.6 |
| Druglikeness | -1.0129 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 2 |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.013035 |
| Molecular Complexity | 0.78642 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 6 |
| Smiles | OC(C(C(Cl)=C(C1=O)O)=O)=C1Cl |
| InChIKey | InChI=1S/C6H2Cl2O4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9,12H |
| InChI | IPPWILKGXFOXHO-UHFFFAOYSA-N |
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1 — (2,5-Dichloro-3,6-dihydroxy-p-benzoquinone) | 2 — (2,5-Dichloro-3,6-dihydroxy-p-benzoquinone)