N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-phenyloxamide
Formula:C15H12N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-phenyloxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-phenyloxamide |
| MolecularFormula | C15H12N4O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(Nc2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C15H12N4O4/c20-14(17-12-4-2-1-3-5-12)15(21)18-16-10-11-6-8-13(9-7-11)19(22)23/h1-10H,(H,17,20)(H,18,21) |
| InChIK | IPLQVTPHYKVCFH-UHFFFAOYSA-N |
| TotalMolweight | 312.284 |
| Molweight | 312.284 |
| MonoisotopicMass | 312.085856 |
| CLogP | 1.2223 |
| CLogS | -3.985 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 239.87 |
| Relative PSA | 0.37908 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -1.4058 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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