N'-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
Formula:C15H10N4O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide |
| MolecularFormula | C15H10N4O4Cl2 |
| Smiles | [O-][N+](c(cc(/C=N\NC(C(Nc(cccc1)c1Cl)=O)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C15H10Cl2N4O4/c16-10-3-1-2-4-12(10)19-14(22)15(23)20-18-8-9-5-6-11(17)13(7-9)21(24)25/h1-8H,(H,19,22)(H,20,23) |
| InChIK | SHSCDACNKMCLOD-UHFFFAOYSA-N |
| TotalMolweight | 381.174 |
| Molweight | 381.174 |
| MonoisotopicMass | 380.00791 |
| CLogP | 2.4343 |
| CLogS | -5.457 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 270.71 |
| Relative PSA | 0.33589 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -1.3809 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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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