2-[(E)-1-(benzenesulfonyl)-2-(4-nitrophenyl)ethenyl]-5-nitrofuran
Formula:C18H12N2O7S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[(E)-1-(benzenesulfonyl)-2-(4-nitrophenyl)ethenyl]-5-nitrofuran is a drug-like molecule.
| MolName | 2-[(E)-1-(benzenesulfonyl)-2-(4-nitrophenyl)ethenyl]-5-nitrofuran |
| MolecularFormula | C18H12N2O7S |
| Smiles | [O-][N+](c1ccc(/C(/S(c2ccccc2)(=O)=O)=C\c(cc2)ccc2[N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C18H12N2O7S/c21-19(22)14-8-6-13(7-9-14)12-17(16-10-11-18(27-16)20(23)24)28(25,26)15-4-2-1-3-5-15/h1-12H |
| InChIK | GUAVNJZMDUKXQD-UHFFFAOYSA-N |
| TotalMolweight | 400.366 |
| Molweight | 400.366 |
| MonoisotopicMass | 400.036523 |
| CLogP | 1.7943 |
| CLogS | -4.908 |
| H Acceptors | 9 |
| TotalSurfaceArea | 283.1 |
| Relative PSA | 0.3657 |
| PolarSurfaceArea | 147.3 |
| Druglikeness | -16.462 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-1-(benzenesulfonyl)-2-(4-nitrophenyl)ethenyl]-5-nitrofuran | 2 - 2-[(E)-1-(benzenesulfonyl)-2-(4-nitrophenyl)ethenyl]-5-nitrofuran
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off