2-nitro-5-[(E)-2-(4-nitrophenyl)ethenyl]furan
Formula:C12H8N2O5
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-nitro-5-[(E)-2-(4-nitrophenyl)ethenyl]furan is a drug-like molecule.
| MolName | 2-nitro-5-[(E)-2-(4-nitrophenyl)ethenyl]furan |
| MolecularFormula | C12H8N2O5 |
| Smiles | [O-][N+](c1ccc(/C=C/c(cc2)ccc2[N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C12H8N2O5/c15-13(16)10-4-1-9(2-5-10)3-6-11-7-8-12(19-11)14(17)18/h1-8H |
| InChIK | FFRJGIKSSJBQSU-UHFFFAOYSA-N |
| TotalMolweight | 260.205 |
| Molweight | 260.205 |
| MonoisotopicMass | 260.043323 |
| CLogP | 1.5635 |
| CLogS | -4.879 |
| H Acceptors | 7 |
| TotalSurfaceArea | 196.55 |
| Relative PSA | 0.38133 |
| PolarSurfaceArea | 104.78 |
| Druglikeness | -3.4739 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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