(E)-1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
Formula:C14H10NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one |
| MolecularFormula | C14H10NOBr |
| Smiles | O=C(/C=C/c1ncccc1)c(cc1)ccc1Br |
| InChI | InChI=1S/C14H10BrNO/c15-12-6-4-11(5-7-12)14(17)9-8-13-3-1-2-10-16-13/h1-10H |
| InChIK | WVOAMWRGHDACHC-UHFFFAOYSA-N |
| TotalMolweight | 288.143 |
| Molweight | 288.143 |
| MonoisotopicMass | 286.994575 |
| CLogP | 3.0821 |
| CLogS | -3.903 |
| H Acceptors | 2 |
| TotalSurfaceArea | 194.66 |
| Relative PSA | 0.12334 |
| PolarSurfaceArea | 29.96 |
| Druglikeness | -1.5014 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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