2-[(E)-2-phenylselanylethenyl]propanedinitrile
Formula:C11H8N2Se
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylselanylethenyl]propanedinitrile is a drug-like molecule.
| MolName | 2-[(E)-2-phenylselanylethenyl]propanedinitrile |
| MolecularFormula | C11H8N2Se |
| Smiles | N#CC(/C=C/[Se]c1ccccc1)C#N |
| InChI | InChI=1S/C11H8N2Se/c12-8-10(9-13)6-7-14-11-4-2-1-3-5-11/h1-7,10H |
| InChIK | IEZKVEXQQIDODT-UHFFFAOYSA-N |
| TotalMolweight | 247.159 |
| Molweight | 247.159 |
| MonoisotopicMass | 247.985268 |
| CLogP | 1.7837 |
| CLogS | -3.643 |
| H Acceptors | 2 |
| TotalSurfaceArea | 155.68 |
| Relative PSA | 0.1742 |
| PolarSurfaceArea | 47.58 |
| Druglikeness | -11.282 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,1-dinitrile; unwanted atom |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-[(E)-2-phenylselanylethenyl]propanedinitrile | 2 - 2-[(E)-2-phenylselanylethenyl]propanedinitrile
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