(E)-N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide
Formula:C18H14N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C18H14N2OS |
| Smiles | O=C(/C=C/c1cccs1)N(c1ccccc1)c1ncccc1 |
| InChI | InChI=1S/C18H14N2OS/c21-18(12-11-16-9-6-14-22-16)20(15-7-2-1-3-8-15)17-10-4-5-13-19-17/h1-14H |
| InChIK | AFXPJMFPGRWVRJ-UHFFFAOYSA-N |
| TotalMolweight | 306.388 |
| Molweight | 306.388 |
| MonoisotopicMass | 306.082683 |
| CLogP | 3.2618 |
| CLogS | -5.234 |
| H Acceptors | 3 |
| TotalSurfaceArea | 242.03 |
| Relative PSA | 0.19799 |
| PolarSurfaceArea | 61.44 |
| Druglikeness | 2.2926 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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