2-(2-hydroxyphenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C15H13N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(2-hydroxyphenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-hydroxyphenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H13N3O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(COc(cccc2)c2O)=O)cc1)=O |
| InChI | InChI=1S/C15H13N3O5/c19-13-3-1-2-4-14(13)23-10-15(20)17-16-9-11-5-7-12(8-6-11)18(21)22/h1-9,19H,10H2,(H,17,20) |
| InChIK | CKLGZRVDRIGHFE-UHFFFAOYSA-N |
| TotalMolweight | 315.284 |
| Molweight | 315.284 |
| MonoisotopicMass | 315.085522 |
| CLogP | 1.5092 |
| CLogS | -3.665 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 240.77 |
| Relative PSA | 0.37185 |
| PolarSurfaceArea | 116.74 |
| Druglikeness | -0.93382 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(2-hydroxyphenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-(2-hydroxyphenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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