(E)-4-(benzhydrylamino)-4-oxobut-2-enoate
Formula:C17H14NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(benzhydrylamino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(benzhydrylamino)-4-oxobut-2-enoate |
| MolecularFormula | C17H14NO3 |
| Smiles | [O-]C(/C=C/C(NC(c1ccccc1)c1ccccc1)=O)=O |
| InChI | InChI=1S/C17H15NO3/c19-15(11-12-16(20)21)18-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H,18,19)(H,20,21)/p-1 |
| InChIK | OVFIHTXGGYGQLT-UHFFFAOYSA-M |
| TotalMolweight | 280.302 |
| Molweight | 280.302 |
| MonoisotopicMass | 280.097369 |
| CLogP | 0.0928 |
| CLogS | -2.821 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 226.51 |
| Relative PSA | 0.22878 |
| PolarSurfaceArea | 69.23 |
| Druglikeness | 0.61362 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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