N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C13H7N2O2Br2F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C13H7N2O2Br2F3 |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)N/N=C\c(o1)cc(Br)c1Br |
| InChI | InChI=1S/C13H7Br2F3N2O2/c14-10-5-9(22-11(10)15)6-19-20-12(21)7-2-1-3-8(4-7)13(16,17)18/h1-6H,(H,20,21) |
| InChIK | ISJROOLNJMXOSM-UHFFFAOYSA-N |
| TotalMolweight | 440.013 |
| Molweight | 440.013 |
| MonoisotopicMass | 437.882634 |
| CLogP | 4.7864 |
| CLogS | -5.612 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.4 |
| Relative PSA | 0.20592 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -8.0967 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-(trifluoromethyl)benzamide | 2 - N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-(trifluoromethyl)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off