2-nitro-4-[(E)-2-nitroethenyl]thiophene
Formula:C6H4N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-4-[(E)-2-nitroethenyl]thiophene is a drug-like molecule.
| MolName | 2-nitro-4-[(E)-2-nitroethenyl]thiophene |
| MolecularFormula | C6H4N2O4S |
| Smiles | [O-][N+](/C=C/c1csc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C6H4N2O4S/c9-7(10)2-1-5-3-6(8(11)12)13-4-5/h1-4H |
| InChIK | ZQAHUYIMKSANLH-UHFFFAOYSA-N |
| TotalMolweight | 200.174 |
| Molweight | 200.174 |
| MonoisotopicMass | 199.989178 |
| CLogP | -0.1778 |
| CLogS | -3.136 |
| H Acceptors | 6 |
| TotalSurfaceArea | 143.04 |
| Relative PSA | 0.56767 |
| PolarSurfaceArea | 119.88 |
| Druglikeness | -5.7271 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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