| MolName | (Z)-2-(4-bromophenyl)-3-pyridin-3-ylprop-2-enenitrile |
| MolecularFormula | C14H9N2Br |
| Smiles | N#C/C(/c(cc1)ccc1Br)=C\c1cnccc1 |
| InChI | InChI=1S/C14H9BrN2/c15-14-5-3-12(4-6-14)13(9-16)8-11-2-1-7-17-10-11/h1-8,10H |
| InChIK | PJHYWQHGIKTOMR-UHFFFAOYSA-N |
| TotalMolweight | 285.143 |
| Molweight | 285.143 |
| MonoisotopicMass | 283.994909 |
| CLogP | 3.0569 |
| CLogS | -3.668 |
| H Acceptors | 2 |
| TotalSurfaceArea | 196.83 |
| Relative PSA | 0.12463 |
| PolarSurfaceArea | 36.68 |
| Druglikeness | -6.8698 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-2-(4-bromophenyl)-3-pyridin-3-ylprop-2-enenitrile | 2 - (Z)-2-(4-bromophenyl)-3-pyridin-3-ylprop-2-enenitrile