| MolName | (Z)-N-[(4-bromo-2-fluorophenyl)methoxy]-1-(3-nitrophenyl)methanimine |
| MolecularFormula | C14H10N2O3BrF |
| Smiles | [O-][N+](c1cccc(/C=N\OCc(ccc(Br)c2)c2F)c1)=O |
| InChI | InChI=1S/C14H10BrFN2O3/c15-12-5-4-11(14(16)7-12)9-21-17-8-10-2-1-3-13(6-10)18(19)20/h1-8H,9H2 |
| InChIK | WWMKIPZLRSMYMW-UHFFFAOYSA-N |
| TotalMolweight | 353.146 |
| Molweight | 353.146 |
| MonoisotopicMass | 351.985882 |
| CLogP | 3.7401 |
| CLogS | -5.25 |
| H Acceptors | 5 |
| TotalSurfaceArea | 230.19 |
| Relative PSA | 0.2256 |
| PolarSurfaceArea | 67.41 |
| Druglikeness | -8.2788 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[(4-bromo-2-fluorophenyl)methoxy]-1-(3-nitrophenyl)methanimine | 2 - (Z)-N-[(4-bromo-2-fluorophenyl)methoxy]-1-(3-nitrophenyl)methanimine