1,7-dibromo-2,3,4,6-tetrahydroxybenzo[7]annulen-5-one
Formula:C11H6O5Br2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
1,7-dibromo-2,3,4,6-tetrahydroxybenzo[7]annulen-5-one is a drug-like molecule.
| MolName | 1,7-dibromo-2,3,4,6-tetrahydroxybenzo[7]annulen-5-one |
| MolecularFormula | C11H6O5Br2 |
| Smiles | Oc(c(C(C(O)=C(C=C1)Br)=O)c1c(Br)c1O)c1O |
| InChI | InChI=1S/C11H6Br2O5/c12-4-2-1-3-5(8(15)7(4)14)9(16)11(18)10(17)6(3)13/h1-2,16-18H,(H,14,15) |
| InChIK | FECIQGUYMDSZTE-UHFFFAOYSA-N |
| TotalMolweight | 377.972 |
| Molweight | 377.972 |
| MonoisotopicMass | 375.858197 |
| CLogP | 1.907 |
| CLogS | -3.776 |
| H Acceptors | 5 |
| H Donors | 4 |
| TotalSurfaceArea | 189.59 |
| Relative PSA | 0.34517 |
| PolarSurfaceArea | 97.99 |
| Druglikeness | -5.3875 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 3-halo-enone |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - 1,7-dibromo-2,3,4,6-tetrahydroxybenzo[7]annulen-5-one | 2 - 1,7-dibromo-2,3,4,6-tetrahydroxybenzo[7]annulen-5-one
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