N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-chlorobenzamide
Formula:C14H9N2OBrClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-chlorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-chlorobenzamide |
| MolecularFormula | C14H9N2OBrClF |
| Smiles | O=C(c1cc(Cl)ccc1)N/N=C\c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C14H9BrClFN2O/c15-11-4-5-13(17)10(6-11)8-18-19-14(20)9-2-1-3-12(16)7-9/h1-8H,(H,19,20) |
| InChIK | MSVVCTJEVPLTIJ-UHFFFAOYSA-N |
| TotalMolweight | 355.593 |
| Molweight | 355.593 |
| MonoisotopicMass | 353.957079 |
| CLogP | 4.6336 |
| CLogS | -5.605 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 227.39 |
| Relative PSA | 0.15836 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 1.3415 |
| 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 |
| StereoCon |
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1 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-chlorobenzamide | 2 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-chlorobenzamide
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