N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide
Formula:C16H12N3O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide |
| MolecularFormula | C16H12N3O2Cl3 |
| Smiles | O=C(C(N/N=C\c(ccc(Cl)c1)c1Cl)=O)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C16H12Cl3N3O2/c17-12-4-1-10(2-5-12)8-20-15(23)16(24)22-21-9-11-3-6-13(18)7-14(11)19/h1-7,9H,8H2,(H,20,23)(H,22,24) |
| InChIK | ZDJLWTKBKVSVLA-UHFFFAOYSA-N |
| TotalMolweight | 384.649 |
| Molweight | 384.649 |
| MonoisotopicMass | 382.999508 |
| CLogP | 3.6713 |
| CLogS | -5.549 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.22 |
| Relative PSA | 0.21906 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.0659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide | 2 - N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide
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