N-(2,5-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
Formula:C15H9N3O2Cl4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-(2,5-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(2,5-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide |
| MolecularFormula | C15H9N3O2Cl4 |
| Smiles | O=C(C(N/N=C\c1cccc(Cl)c1Cl)=O)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C15H9Cl4N3O2/c16-9-4-5-10(17)12(6-9)21-14(23)15(24)22-20-7-8-2-1-3-11(18)13(8)19/h1-7H,(H,21,23)(H,22,24) |
| InChIK | CKQXNPBCIDJBNQ-UHFFFAOYSA-N |
| TotalMolweight | 405.067 |
| Molweight | 405.067 |
| MonoisotopicMass | 402.944885 |
| CLogP | 4.5679 |
| CLogS | -6.469 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 277.88 |
| Relative PSA | 0.21776 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.76 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(2,5-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide | 2 - N-(2,5-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off