2-(3,5-dichloro-4-oxopyridin-1-yl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
Formula:C14H9N3O2Cl4
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-(3,5-dichloro-4-oxopyridin-1-yl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3,5-dichloro-4-oxopyridin-1-yl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C14H9N3O2Cl4 |
| Smiles | O=C(CN(C=C(C1=O)Cl)C=C1Cl)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C14H9Cl4N3O2/c15-9-2-1-8(3-10(9)16)4-19-20-13(22)7-21-5-11(17)14(23)12(18)6-21/h1-6H,7H2,(H,20,22) |
| InChIK | BGTRBWAGCBVZES-UHFFFAOYSA-N |
| TotalMolweight | 393.056 |
| Molweight | 393.056 |
| MonoisotopicMass | 390.944885 |
| CLogP | 2.9915 |
| CLogS | -5.584 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 266.64 |
| Relative PSA | 0.19727 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 5.3567 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 2-(3,5-dichloro-4-oxopyridin-1-yl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-(3,5-dichloro-4-oxopyridin-1-yl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
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