N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
Formula:C15H13N2O2BrCl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide |
| MolecularFormula | C15H13N2O2BrCl2S |
| Smiles | O=C(CCCOc(ccc(Cl)c1)c1Cl)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C15H13BrCl2N2O2S/c16-14-6-4-11(23-14)9-19-20-15(21)2-1-7-22-13-5-3-10(17)8-12(13)18/h3-6,8-9H,1-2,7H2,(H,20,21) |
| InChIK | ADVXUFGRJRSGNR-UHFFFAOYSA-N |
| TotalMolweight | 436.156 |
| Molweight | 436.156 |
| MonoisotopicMass | 433.925813 |
| CLogP | 5.6938 |
| CLogS | -6.374 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 283.68 |
| Relative PSA | 0.23396 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | -1.858 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon |
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