(E)-3-(2-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
Formula:C14H11N2OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-N-pyridin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-N-pyridin-2-ylprop-2-enamide |
| MolecularFormula | C14H11N2OCl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Nc1ncccc1 |
| InChI | InChI=1S/C14H11ClN2O/c15-12-6-2-1-5-11(12)8-9-14(18)17-13-7-3-4-10-16-13/h1-10H,(H,16,17,18) |
| InChIK | KYVPZOIWUKWSEA-UHFFFAOYSA-N |
| TotalMolweight | 258.707 |
| Molweight | 258.707 |
| MonoisotopicMass | 258.05599 |
| CLogP | 3.0928 |
| CLogS | -3.964 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 202.91 |
| Relative PSA | 0.17481 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -0.36294 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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