(E)-2-cyano-4-oxo-3,4-diphenylbut-2-enamide
Formula:C17H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-cyano-4-oxo-3,4-diphenylbut-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-4-oxo-3,4-diphenylbut-2-enamide |
| MolecularFormula | C17H12N2O2 |
| Smiles | NC(/C(/C#N)=C(/C(c1ccccc1)=O)\c1ccccc1)=O |
| InChI | InChI=1S/C17H12N2O2/c18-11-14(17(19)21)15(12-7-3-1-4-8-12)16(20)13-9-5-2-6-10-13/h1-10H,(H2,19,21) |
| InChIK | QTXYURJNLMYVDI-UHFFFAOYSA-N |
| TotalMolweight | 276.294 |
| Molweight | 276.294 |
| MonoisotopicMass | 276.089878 |
| CLogP | 1.7021 |
| CLogS | -3.392 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 221.67 |
| Relative PSA | 0.24771 |
| PolarSurfaceArea | 83.95 |
| Druglikeness | -2.9518 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.47619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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