N-[(Z)-(3-bromophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
Formula:C17H15N2O2BrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-bromophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide |
| MolecularFormula | C17H15N2O2BrCl2 |
| Smiles | O=C(CCCOc(ccc(Cl)c1)c1Cl)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C17H15BrCl2N2O2/c18-13-4-1-3-12(9-13)11-21-22-17(23)5-2-8-24-16-7-6-14(19)10-15(16)20/h1,3-4,6-7,9-11H,2,5,8H2,(H,22,23) |
| InChIK | WCWUBTUZZDQCMU-UHFFFAOYSA-N |
| TotalMolweight | 430.128 |
| Molweight | 430.128 |
| MonoisotopicMass | 427.969393 |
| CLogP | 5.6225 |
| CLogS | -6.347 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 287.74 |
| Relative PSA | 0.1599 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -1.7009 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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