(E)-4-(4-benzoylanilino)-4-oxobut-2-enoate
Formula:C17H12NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(4-benzoylanilino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(4-benzoylanilino)-4-oxobut-2-enoate |
| MolecularFormula | C17H12NO4 |
| Smiles | [O-]C(/C=C/C(Nc(cc1)ccc1C(c1ccccc1)=O)=O)=O |
| InChI | InChI=1S/C17H13NO4/c19-15(10-11-16(20)21)18-14-8-6-13(7-9-14)17(22)12-4-2-1-3-5-12/h1-11H,(H,18,19)(H,20,21)/p-1 |
| InChIK | NOXAGFBCQHLMOT-UHFFFAOYSA-M |
| TotalMolweight | 294.285 |
| Molweight | 294.285 |
| MonoisotopicMass | 294.076634 |
| CLogP | -0.2024 |
| CLogS | -3.845 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 231.76 |
| Relative PSA | 0.27986 |
| PolarSurfaceArea | 86.3 |
| Druglikeness | 0.2565 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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