N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-fluorophenoxy)acetamide
Formula:C15H11N3O4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-fluorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-fluorophenoxy)acetamide |
| MolecularFormula | C15H11N3O4ClF |
| Smiles | [O-][N+](c(cc(/C=N\NC(COc(cc1)ccc1F)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C15H11ClFN3O4/c16-13-6-1-10(7-14(13)20(22)23)8-18-19-15(21)9-24-12-4-2-11(17)3-5-12/h1-8H,9H2,(H,19,21) |
| InChIK | QVTUAZVQTBVXHO-UHFFFAOYSA-N |
| TotalMolweight | 351.72 |
| Molweight | 351.72 |
| MonoisotopicMass | 351.042212 |
| CLogP | 2.5617 |
| CLogS | -5.011 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 256.19 |
| Relative PSA | 0.29833 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.2293 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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