N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-fluorobenzamide
Formula:C12H7N2O2Br2F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-fluorobenzamide |
| MolecularFormula | C12H7N2O2Br2F |
| Smiles | O=C(c1cc(F)ccc1)N/N=C\c(o1)cc(Br)c1Br |
| InChI | InChI=1S/C12H7Br2FN2O2/c13-10-5-9(19-11(10)14)6-16-17-12(18)7-2-1-3-8(15)4-7/h1-6H,(H,17,18) |
| InChIK | ZUAPRFBLLHVKCD-UHFFFAOYSA-N |
| TotalMolweight | 390.006 |
| Molweight | 390.006 |
| MonoisotopicMass | 387.885828 |
| CLogP | 4.0389 |
| CLogS | -5.148 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 220.29 |
| Relative PSA | 0.22752 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -2.2467 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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1 - N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-fluorobenzamide | 2 - N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-fluorobenzamide
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