2-[(E)-2-(4-chlorophenyl)selanylethenyl]thiophene
Formula:C12H9ClSSe
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-chlorophenyl)selanylethenyl]thiophene is a drug-like molecule.
| MolName | 2-[(E)-2-(4-chlorophenyl)selanylethenyl]thiophene |
| MolecularFormula | C12H9ClSSe |
| Smiles | Clc(cc1)ccc1[Se]/C=C/c1cccs1 |
| InChI | InChI=1S/C12H9ClSSe/c13-10-3-5-12(6-4-10)15-9-7-11-2-1-8-14-11/h1-9H |
| InChIK | OVVCQJADPBXTGT-UHFFFAOYSA-N |
| TotalMolweight | 299.682 |
| Molweight | 299.682 |
| MonoisotopicMass | 299.927867 |
| CLogP | 4.2088 |
| CLogS | -4.891 |
| TotalSurfaceArea | 170.88 |
| Relative PSA | 0.11915 |
| PolarSurfaceArea | 28.24 |
| Druglikeness | -2.2629 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | unwanted atom |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-[(E)-2-(4-chlorophenyl)selanylethenyl]thiophene | 2 - 2-[(E)-2-(4-chlorophenyl)selanylethenyl]thiophene
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