N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide
Formula:C15H12N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide |
| MolecularFormula | C15H12N3O4F |
| Smiles | [O-][N+](c1cccc(OCC(N/N=C\c(cc2)ccc2F)=O)c1)=O |
| InChI | InChI=1S/C15H12FN3O4/c16-12-6-4-11(5-7-12)9-17-18-15(20)10-23-14-3-1-2-13(8-14)19(21)22/h1-9H,10H2,(H,18,20) |
| InChIK | KNQXZNHJFMUOOO-UHFFFAOYSA-N |
| TotalMolweight | 317.275 |
| Molweight | 317.275 |
| MonoisotopicMass | 317.081185 |
| CLogP | 1.9557 |
| CLogS | -4.275 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 240.77 |
| Relative PSA | 0.31744 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.2724 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| 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 | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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