3-[(E)-2-pyridin-4-ylethenyl]pyridine
Formula:C12H10N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-pyridin-4-ylethenyl]pyridine is a drug-like molecule.
| MolName | 3-[(E)-2-pyridin-4-ylethenyl]pyridine |
| MolecularFormula | C12H10N2 |
| Smiles | C(c1ccncc1)=C/c1cccnc1 |
| InChI | InChI=1S/C12H10N2/c1-2-12(10-14-7-1)4-3-11-5-8-13-9-6-11/h1-10H |
| InChIK | LELJBILQTLAIMQ-UHFFFAOYSA-N |
| TotalMolweight | 182.225 |
| Molweight | 182.225 |
| MonoisotopicMass | 182.084398 |
| CLogP | 1.8648 |
| CLogS | -2.162 |
| H Acceptors | 2 |
| TotalSurfaceArea | 157.04 |
| Relative PSA | 0.13971 |
| PolarSurfaceArea | 25.78 |
| Druglikeness | -1.4269 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-[(E)-2-pyridin-4-ylethenyl]pyridine | 2 - 3-[(E)-2-pyridin-4-ylethenyl]pyridine
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