5-[(E)-2-(2-chlorophenyl)ethenyl]-3-pyridin-2-yl-1,2,4-oxadiazole
Formula:C15H10N3OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
5-[(E)-2-(2-chlorophenyl)ethenyl]-3-pyridin-2-yl-1,2,4-oxadiazole is a drug-like molecule.
| MolName | 5-[(E)-2-(2-chlorophenyl)ethenyl]-3-pyridin-2-yl-1,2,4-oxadiazole |
| MolecularFormula | C15H10N3OCl |
| Smiles | Clc1c(/C=C/c2nc(-c3ncccc3)no2)cccc1 |
| InChI | InChI=1S/C15H10ClN3O/c16-12-6-2-1-5-11(12)8-9-14-18-15(19-20-14)13-7-3-4-10-17-13/h1-10H |
| InChIK | ZYNZRUUDUQVLNF-UHFFFAOYSA-N |
| TotalMolweight | 283.717 |
| Molweight | 283.717 |
| MonoisotopicMass | 283.051239 |
| CLogP | 3.3818 |
| CLogS | -4.288 |
| H Acceptors | 4 |
| TotalSurfaceArea | 220.67 |
| Relative PSA | 0.21308 |
| PolarSurfaceArea | 51.81 |
| Druglikeness | 1.3505 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 5-[(E)-2-(2-chlorophenyl)ethenyl]-3-pyridin-2-yl-1,2,4-oxadiazole | 2 - 5-[(E)-2-(2-chlorophenyl)ethenyl]-3-pyridin-2-yl-1,2,4-oxadiazole
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