N'-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide
Formula:C15H9N4O4Cl3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N'-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide |
| MolecularFormula | C15H9N4O4Cl3 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(C(Nc(cc(cc2)Cl)c2Cl)=O)=O)c1Cl)=O |
| InChI | InChI=1S/C15H9Cl3N4O4/c16-9-1-3-12(18)13(6-9)20-14(23)15(24)21-19-7-8-5-10(22(25)26)2-4-11(8)17/h1-7H,(H,20,23)(H,21,24) |
| InChIK | YVMALVDWVWYQRS-UHFFFAOYSA-N |
| TotalMolweight | 415.619 |
| Molweight | 415.619 |
| MonoisotopicMass | 413.968937 |
| CLogP | 3.0403 |
| CLogS | -6.193 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 286.13 |
| Relative PSA | 0.31779 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -1.3809 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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