(E)-1-(furan-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-en-1-one
Formula:C11H7NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(furan-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(furan-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-en-1-one |
| MolecularFormula | C11H7NO4S |
| Smiles | [O-][N+](c1ccc(/C=C/C(c2ccco2)=O)s1)=O |
| InChI | InChI=1S/C11H7NO4S/c13-9(10-2-1-7-16-10)5-3-8-4-6-11(17-8)12(14)15/h1-7H |
| InChIK | GTSDUGSLGONLDI-UHFFFAOYSA-N |
| TotalMolweight | 249.246 |
| Molweight | 249.246 |
| MonoisotopicMass | 249.009579 |
| CLogP | 1.6271 |
| CLogS | -4.142 |
| H Acceptors | 5 |
| TotalSurfaceArea | 186.57 |
| Relative PSA | 0.4177 |
| PolarSurfaceArea | 104.27 |
| Druglikeness | -3.1546 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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