(E)-4-[4-[chloro(difluoro)methoxy]anilino]-4-oxobut-2-enoate
Formula:C11H7NO4ClF2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(E)-4-[4-[chloro(difluoro)methoxy]anilino]-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-[4-[chloro(difluoro)methoxy]anilino]-4-oxobut-2-enoate |
| MolecularFormula | C11H7NO4ClF2 |
| Smiles | [O-]C(/C=C/C(Nc(cc1)ccc1OC(F)(F)Cl)=O)=O |
| InChI | InChI=1S/C11H8ClF2NO4/c12-11(13,14)19-8-3-1-7(2-4-8)15-9(16)5-6-10(17)18/h1-6H,(H,15,16)(H,17,18)/p-1 |
| InChIK | PZSLLPFJHZPOEV-UHFFFAOYSA-M |
| TotalMolweight | 290.629 |
| Molweight | 290.629 |
| MonoisotopicMass | 290.003167 |
| CLogP | 1.0258 |
| CLogS | -3.016 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 202.78 |
| Relative PSA | 0.30486 |
| PolarSurfaceArea | 78.46 |
| Druglikeness | -6.5612 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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