(E)-4-oxo-4-[4-[(E)-2-phenylethenyl]anilino]but-2-enoate
Formula:C18H14NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-4-oxo-4-[4-[(E)-2-phenylethenyl]anilino]but-2-enoate is a drug-like molecule.
| MolName | (E)-4-oxo-4-[4-[(E)-2-phenylethenyl]anilino]but-2-enoate |
| MolecularFormula | C18H14NO3 |
| Smiles | [O-]C(/C=C/C(Nc1ccc(/C=C/c2ccccc2)cc1)=O)=O |
| InChI | InChI=1S/C18H15NO3/c20-17(12-13-18(21)22)19-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-13H,(H,19,20)(H,21,22)/p-1 |
| InChIK | HZHBSDVILMGKSF-UHFFFAOYSA-M |
| TotalMolweight | 292.313 |
| Molweight | 292.313 |
| MonoisotopicMass | 292.097369 |
| CLogP | 0.8746 |
| CLogS | -3.881 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.51 |
| Relative PSA | 0.21546 |
| PolarSurfaceArea | 69.23 |
| Druglikeness | -0.13705 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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