4-cyano-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]benzamide
Formula:C15H9N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-cyano-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-cyano-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C15H9N3OCl2 |
| Smiles | N#Cc(cc1)ccc1C(N/N=C\c(c(Cl)ccc1)c1Cl)=O |
| InChI | InChI=1S/C15H9Cl2N3O/c16-13-2-1-3-14(17)12(13)9-19-20-15(21)11-6-4-10(8-18)5-7-11/h1-7,9H,(H,20,21) |
| InChIK | CUWIOMVIKVUISN-UHFFFAOYSA-N |
| TotalMolweight | 318.162 |
| Molweight | 318.162 |
| MonoisotopicMass | 317.012266 |
| CLogP | 4.2492 |
| CLogS | -5.966 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 239.54 |
| Relative PSA | 0.20694 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | 0.19152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - 4-cyano-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]benzamide | 2 - 4-cyano-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off