(E)-3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide
Formula:C21H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide |
| MolecularFormula | C21H16N2O2 |
| Smiles | O=C(/C=C/c1ccccc1)Nc(cc1)ccc1C(c1ccncc1)=O |
| InChI | InChI=1S/C21H16N2O2/c24-20(11-6-16-4-2-1-3-5-16)23-19-9-7-17(8-10-19)21(25)18-12-14-22-15-13-18/h1-15H,(H,23,24) |
| InChIK | GAAIZBVQRUGWHC-UHFFFAOYSA-N |
| TotalMolweight | 328.37 |
| Molweight | 328.37 |
| MonoisotopicMass | 328.121178 |
| CLogP | 3.2654 |
| CLogS | -4.803 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265 |
| Relative PSA | 0.18306 |
| PolarSurfaceArea | 59.06 |
| Druglikeness | -0.028695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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