(E)-N-phenyl-3-quinolin-2-ylprop-2-enamide
Formula:C18H14N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-phenyl-3-quinolin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-phenyl-3-quinolin-2-ylprop-2-enamide |
| MolecularFormula | C18H14N2O |
| Smiles | O=C(/C=C/c1nc2ccccc2cc1)Nc1ccccc1 |
| InChI | InChI=1S/C18H14N2O/c21-18(20-15-7-2-1-3-8-15)13-12-16-11-10-14-6-4-5-9-17(14)19-16/h1-13H,(H,20,21) |
| InChIK | IJJVDSLTFQUTEJ-UHFFFAOYSA-N |
| TotalMolweight | 274.322 |
| Molweight | 274.322 |
| MonoisotopicMass | 274.110613 |
| CLogP | 3.5063 |
| CLogS | -4.228 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 222.09 |
| Relative PSA | 0.15971 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -0.43887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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