4-bromo-N-[(Z)-(2-fluoro-5-nitrophenyl)methylideneamino]benzamide
Formula:C14H9N3O3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(2-fluoro-5-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(2-fluoro-5-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H9N3O3BrF |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c(cc2)ccc2Br)=O)c1F)=O |
| InChI | InChI=1S/C14H9BrFN3O3/c15-11-3-1-9(2-4-11)14(20)18-17-8-10-7-12(19(21)22)5-6-13(10)16/h1-8H,(H,18,20) |
| InChIK | HSYRAYVBXLSKPW-UHFFFAOYSA-N |
| TotalMolweight | 366.145 |
| Molweight | 366.145 |
| MonoisotopicMass | 364.981131 |
| CLogP | 3.106 |
| CLogS | -5.329 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 235.64 |
| Relative PSA | 0.28191 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -3.883 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-bromo-N-[(Z)-(2-fluoro-5-nitrophenyl)methylideneamino]benzamide | 2 - 4-bromo-N-[(Z)-(2-fluoro-5-nitrophenyl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off