3-iodo-2-[(E)-2-(3-iodothiophen-2-yl)ethenyl]thiophene
Formula:C10H6I2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-iodo-2-[(E)-2-(3-iodothiophen-2-yl)ethenyl]thiophene is a drug-like molecule.
| MolName | 3-iodo-2-[(E)-2-(3-iodothiophen-2-yl)ethenyl]thiophene |
| MolecularFormula | C10H6I2S2 |
| Smiles | Ic1c(/C=C/c(scc2)c2I)scc1 |
| InChI | InChI=1S/C10H6I2S2/c11-7-3-5-13-9(7)1-2-10-8(12)4-6-14-10/h1-6H |
| InChIK | YNEGNZGVFGURBW-UHFFFAOYSA-N |
| TotalMolweight | 444.09 |
| Molweight | 444.09 |
| MonoisotopicMass | 443.800036 |
| CLogP | 4.474 |
| CLogS | -5.804 |
| TotalSurfaceArea | 203.96 |
| Relative PSA | 0.19965 |
| PolarSurfaceArea | 56.48 |
| Druglikeness | 1.0915 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Symmetricatoms | 7 |
| StereoCon |
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