(E)-N-benzyl-3-quinolin-3-ylprop-2-enamide
Formula:C19H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-3-quinolin-3-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-3-quinolin-3-ylprop-2-enamide |
| MolecularFormula | C19H16N2O |
| Smiles | O=C(/C=C/c1cc2ccccc2nc1)NCc1ccccc1 |
| InChI | InChI=1S/C19H16N2O/c22-19(21-13-15-6-2-1-3-7-15)11-10-16-12-17-8-4-5-9-18(17)20-14-16/h1-12,14H,13H2,(H,21,22) |
| InChIK | XEGSAQNJWJLSLX-UHFFFAOYSA-N |
| TotalMolweight | 288.349 |
| Molweight | 288.349 |
| MonoisotopicMass | 288.126263 |
| CLogP | 3.1617 |
| CLogS | -4.02 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 235.85 |
| Relative PSA | 0.15039 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 0.091837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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