2-bromo-N-[(Z)-(2,6-difluorophenyl)methylideneamino]benzamide
Formula:C14H9N2OBrF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[(Z)-(2,6-difluorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[(Z)-(2,6-difluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H9N2OBrF2 |
| Smiles | O=C(c(cccc1)c1Br)N/N=C\c(c(F)ccc1)c1F |
| InChI | InChI=1S/C14H9BrF2N2O/c15-11-5-2-1-4-9(11)14(20)19-18-8-10-12(16)6-3-7-13(10)17/h1-8H,(H,19,20) |
| InChIK | BCHSPJRGMXRESD-UHFFFAOYSA-N |
| TotalMolweight | 339.138 |
| Molweight | 339.138 |
| MonoisotopicMass | 337.98663 |
| CLogP | 4.1284 |
| CLogS | -5.183 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 218.32 |
| Relative PSA | 0.16494 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 1.3387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 2-bromo-N-[(Z)-(2,6-difluorophenyl)methylideneamino]benzamide | 2 - 2-bromo-N-[(Z)-(2,6-difluorophenyl)methylideneamino]benzamide
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