3-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
Formula:C14H9N2OBr2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H9N2OBr2F |
| Smiles | O=C(c1cc(Br)ccc1)N/N=C\c(cc1)cc(Br)c1F |
| InChI | InChI=1S/C14H9Br2FN2O/c15-11-3-1-2-10(7-11)14(20)19-18-8-9-4-5-13(17)12(16)6-9/h1-8H,(H,19,20) |
| InChIK | YDEMSQKIRKCQNI-UHFFFAOYSA-N |
| TotalMolweight | 400.044 |
| Molweight | 400.044 |
| MonoisotopicMass | 397.906563 |
| CLogP | 4.7528 |
| CLogS | -5.703 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 230.6 |
| Relative PSA | 0.15616 |
| 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 | 0.65 |
| 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 |
| StereoCon |
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