N'-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]oxamide
Formula:C15H12N3O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]oxamide |
| MolecularFormula | C15H12N3O3Cl |
| Smiles | NC(C(N/N=C\c1cccc(Oc(cc2)ccc2Cl)c1)=O)=O |
| InChI | InChI=1S/C15H12ClN3O3/c16-11-4-6-12(7-5-11)22-13-3-1-2-10(8-13)9-18-19-15(21)14(17)20/h1-9H,(H2,17,20)(H,19,21) |
| InChIK | HIFISEJOFWXHRV-UHFFFAOYSA-N |
| TotalMolweight | 317.731 |
| Molweight | 317.731 |
| MonoisotopicMass | 317.056719 |
| CLogP | 2.0853 |
| CLogS | -5.135 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 238.68 |
| Relative PSA | 0.31138 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 2.1928 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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'-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]oxamide | 2 - N'-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]oxamide
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