4-(2,4-dichlorophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide
Formula:C15H14N2O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-(2,4-dichlorophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide is a drug-like molecule.
| MolName | 4-(2,4-dichlorophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide |
| MolecularFormula | C15H14N2O2Cl2S |
| Smiles | O=C(CCCOc(ccc(Cl)c1)c1Cl)N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H14Cl2N2O2S/c16-11-5-6-14(13(17)9-11)21-7-1-4-15(20)19-18-10-12-3-2-8-22-12/h2-3,5-6,8-10H,1,4,7H2,(H,19,20) |
| InChIK | NBGRPNWKPKZDAD-UHFFFAOYSA-N |
| TotalMolweight | 357.26 |
| Molweight | 357.26 |
| MonoisotopicMass | 356.015302 |
| CLogP | 4.7639 |
| CLogS | -5.523 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.05 |
| Relative PSA | 0.25041 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 1.8644 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon |
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