5-[(E)-2-nitroethenyl]thieno[3,2-b]thiophene
Formula:C8H5NO2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-nitroethenyl]thieno[3,2-b]thiophene is a drug-like molecule.
| MolName | 5-[(E)-2-nitroethenyl]thieno[3,2-b]thiophene |
| MolecularFormula | C8H5NO2S2 |
| Smiles | [O-][N+](/C=C/c1cc(scc2)c2s1)=O |
| InChI | InChI=1S/C8H5NO2S2/c10-9(11)3-1-6-5-8-7(13-6)2-4-12-8/h1-5H |
| InChIK | GFPIKGONXDAYEO-UHFFFAOYSA-N |
| TotalMolweight | 211.265 |
| Molweight | 211.265 |
| MonoisotopicMass | 210.976169 |
| CLogP | 1.3356 |
| CLogS | -3.608 |
| H Acceptors | 3 |
| TotalSurfaceArea | 149.91 |
| Relative PSA | 0.47455 |
| PolarSurfaceArea | 102.3 |
| Druglikeness | -4.6677 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 8 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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