(E)-3-(4-bromophenyl)-N-pyridin-2-ylprop-2-enamide
Formula:C14H11N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-N-pyridin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-N-pyridin-2-ylprop-2-enamide |
| MolecularFormula | C14H11N2OBr |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)Nc1ncccc1 |
| InChI | InChI=1S/C14H11BrN2O/c15-12-7-4-11(5-8-12)6-9-14(18)17-13-3-1-2-10-16-13/h1-10H,(H,16,17,18) |
| InChIK | CIXJRCXIACOOCU-UHFFFAOYSA-N |
| TotalMolweight | 303.158 |
| Molweight | 303.158 |
| MonoisotopicMass | 302.005474 |
| CLogP | 3.212 |
| CLogS | -4.062 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 206.12 |
| Relative PSA | 0.17208 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -2.2289 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| 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 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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