4-bromo-2-[(E)-2-nitroethenyl]thiophene
Formula:C6H4NO2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-2-[(E)-2-nitroethenyl]thiophene is a drug-like molecule.
| MolName | 4-bromo-2-[(E)-2-nitroethenyl]thiophene |
| MolecularFormula | C6H4NO2BrS |
| Smiles | [O-][N+](/C=C/c1cc(Br)cs1)=O |
| InChI | InChI=1S/C6H4BrNO2S/c7-5-3-6(11-4-5)1-2-8(9)10/h1-4H |
| InChIK | HFKHRPZOEUWBPV-UHFFFAOYSA-N |
| TotalMolweight | 234.073 |
| Molweight | 234.073 |
| MonoisotopicMass | 232.91461 |
| CLogP | 1.3616 |
| CLogS | -3.47 |
| H Acceptors | 3 |
| TotalSurfaceArea | 138 |
| Relative PSA | 0.36797 |
| PolarSurfaceArea | 74.06 |
| Druglikeness | -10.038 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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