(E)-3-[5-(2-nitrophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
Formula:C17H11NO4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(2-nitrophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[5-(2-nitrophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C17H11NO4S |
| Smiles | [O-][N+](c(cccc1)c1-c1ccc(/C=C/C(c2cccs2)=O)o1)=O |
| InChI | InChI=1S/C17H11NO4S/c19-15(17-6-3-11-23-17)9-7-12-8-10-16(22-12)13-4-1-2-5-14(13)18(20)21/h1-11H |
| InChIK | KCPFFDMEWYWMDL-UHFFFAOYSA-N |
| TotalMolweight | 325.343 |
| Molweight | 325.343 |
| MonoisotopicMass | 325.040879 |
| CLogP | 3.1877 |
| CLogS | -5.77 |
| H Acceptors | 5 |
| TotalSurfaceArea | 246.33 |
| Relative PSA | 0.31636 |
| PolarSurfaceArea | 104.27 |
| Druglikeness | -1.3963 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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