(E)-4-anilino-4-oxobut-2-enoate
Formula:C10H8NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-anilino-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-anilino-4-oxobut-2-enoate |
| MolecularFormula | C10H8NO3 |
| Smiles | [O-]C(/C=C/C(Nc1ccccc1)=O)=O |
| InChI | InChI=1S/C10H9NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)/p-1 |
| InChIK | WHZLCOICKHIPRL-UHFFFAOYSA-M |
| TotalMolweight | 190.178 |
| Molweight | 190.178 |
| MonoisotopicMass | 190.050419 |
| CLogP | -1.3324 |
| CLogS | -1.745 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 154.25 |
| Relative PSA | 0.33595 |
| PolarSurfaceArea | 69.23 |
| Druglikeness | -0.13705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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