N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-fluorophenoxy)acetamide
Formula:C15H12N2O2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-fluorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-fluorophenoxy)acetamide |
| MolecularFormula | C15H12N2O2BrF |
| Smiles | O=C(COc(cc1)ccc1F)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C15H12BrFN2O2/c16-12-3-1-2-11(8-12)9-18-19-15(20)10-21-14-6-4-13(17)5-7-14/h1-9H,10H2,(H,19,20) |
| InChIK | WQXCMZGETFKIRO-UHFFFAOYSA-N |
| TotalMolweight | 351.174 |
| Molweight | 351.174 |
| MonoisotopicMass | 350.006617 |
| CLogP | 3.6025 |
| CLogS | -4.649 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 235.73 |
| Relative PSA | 0.19518 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 1.0666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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