(E)-4-oxo-4-(4-phenoxyanilino)but-2-enoate
Formula:C16H12NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-oxo-4-(4-phenoxyanilino)but-2-enoate is a drug-like molecule.
| MolName | (E)-4-oxo-4-(4-phenoxyanilino)but-2-enoate |
| MolecularFormula | C16H12NO4 |
| Smiles | [O-]C(/C=C/C(Nc(cc1)ccc1Oc1ccccc1)=O)=O |
| InChI | InChI=1S/C16H13NO4/c18-15(10-11-16(19)20)17-12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-11H,(H,17,18)(H,19,20)/p-1 |
| InChIK | YSGGHSDBNZOIHX-UHFFFAOYSA-M |
| TotalMolweight | 282.274 |
| Molweight | 282.274 |
| MonoisotopicMass | 282.076634 |
| CLogP | 0.0632 |
| CLogS | -4.042 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 224.01 |
| Relative PSA | 0.27597 |
| PolarSurfaceArea | 78.46 |
| Druglikeness | -0.1335 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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