2-[(E)-2-(2,4-dinitrophenyl)ethenyl]furan
Formula:C12H8N2O5
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2,4-dinitrophenyl)ethenyl]furan is a drug-like molecule.
| MolName | 2-[(E)-2-(2,4-dinitrophenyl)ethenyl]furan |
| MolecularFormula | C12H8N2O5 |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(/C=C/c2ccco2)cc1)=O |
| InChI | InChI=1S/C12H8N2O5/c15-13(16)10-5-3-9(12(8-10)14(17)18)4-6-11-2-1-7-19-11/h1-8H |
| InChIK | GSRSVSNIHAMBGK-UHFFFAOYSA-N |
| TotalMolweight | 260.205 |
| Molweight | 260.205 |
| MonoisotopicMass | 260.043323 |
| CLogP | 1.2121 |
| CLogS | -4.354 |
| H Acceptors | 7 |
| TotalSurfaceArea | 196.55 |
| Relative PSA | 0.38133 |
| PolarSurfaceArea | 104.78 |
| Druglikeness | -6.2679 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57895 |
| 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 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(2,4-dinitrophenyl)ethenyl]furan | 2 - 2-[(E)-2-(2,4-dinitrophenyl)ethenyl]furan
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off