3-bromo-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
Formula:C14H9N2OBrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-bromo-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-bromo-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H9N2OBrCl2 |
| Smiles | O=C(c1cccc(Br)c1)N/N=C/c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C14H9BrCl2N2O/c15-10-4-1-3-9(7-10)14(20)19-18-8-11-12(16)5-2-6-13(11)17/h1-8H,(H,19,20) |
| InChIK | AOZYMPBVXPNSIW-UHFFFAOYSA-N |
| TotalMolweight | 372.048 |
| Molweight | 372.048 |
| MonoisotopicMass | 369.927528 |
| CLogP | 5.1388 |
| CLogS | -6.027 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 236.46 |
| Relative PSA | 0.15229 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.6815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| 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 |
Click to Load Molecule:
1 - 3-bromo-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide | 2 - 3-bromo-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off