2-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyridine
Formula:C13H9NCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyridine is a drug-like molecule.
| MolName | 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyridine |
| MolecularFormula | C13H9NCl2 |
| Smiles | Clc1cc(Cl)c(/C=C/c2ncccc2)cc1 |
| InChI | InChI=1S/C13H9Cl2N/c14-11-6-4-10(13(15)9-11)5-7-12-3-1-2-8-16-12/h1-9H |
| InChIK | RKOSAWWBEHBDKH-UHFFFAOYSA-N |
| TotalMolweight | 250.127 |
| Molweight | 250.127 |
| MonoisotopicMass | 249.011203 |
| CLogP | 4.1317 |
| CLogS | -4.453 |
| H Acceptors | 1 |
| TotalSurfaceArea | 189.12 |
| Relative PSA | 0.058006 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -1.2915 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyridine | 2 - 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyridine
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