(E)-N-benzyl-3-(2-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
Formula:C21H17N2OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-benzyl-3-(2-chlorophenyl)-N-pyridin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-3-(2-chlorophenyl)-N-pyridin-2-ylprop-2-enamide |
| MolecularFormula | C21H17N2OCl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)N(Cc1ccccc1)c1ncccc1 |
| InChI | InChI=1S/C21H17ClN2O/c22-19-11-5-4-10-18(19)13-14-21(25)24(20-12-6-7-15-23-20)16-17-8-2-1-3-9-17/h1-15H,16H2 |
| InChIK | GKSQORAGKUWTGY-UHFFFAOYSA-N |
| TotalMolweight | 348.832 |
| Molweight | 348.832 |
| MonoisotopicMass | 348.10294 |
| CLogP | 4.7603 |
| CLogS | -5.263 |
| H Acceptors | 3 |
| TotalSurfaceArea | 275.27 |
| Relative PSA | 0.10012 |
| PolarSurfaceArea | 33.2 |
| Druglikeness | 1.7235 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| 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 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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