(1Z)-2-oxo-2-phenyl-N-(2,4,6-trichloroanilino)ethanimidoyl cyanide
Formula:C15H8N3OCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
(1Z)-2-oxo-2-phenyl-N-(2,4,6-trichloroanilino)ethanimidoyl cyanide is not a drug-like molecule.
| MolName | (1Z)-2-oxo-2-phenyl-N-(2,4,6-trichloroanilino)ethanimidoyl cyanide |
| MolecularFormula | C15H8N3OCl3 |
| Smiles | N#C/C(/C(c1ccccc1)=O)=N/Nc(c(Cl)cc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H8Cl3N3O/c16-10-6-11(17)14(12(18)7-10)21-20-13(8-19)15(22)9-4-2-1-3-5-9/h1-7,21H |
| InChIK | ZKOHIPOBPRQIBN-UHFFFAOYSA-N |
| TotalMolweight | 352.608 |
| Molweight | 352.608 |
| MonoisotopicMass | 350.973293 |
| CLogP | 5.2438 |
| CLogS | -5.787 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 253.17 |
| Relative PSA | 0.1958 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -1.9241 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - (1Z)-2-oxo-2-phenyl-N-(2,4,6-trichloroanilino)ethanimidoyl cyanide | 2 - (1Z)-2-oxo-2-phenyl-N-(2,4,6-trichloroanilino)ethanimidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off