N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
Formula:C11H9N3O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C11H9N3O5S |
| Smiles | [O-][N+](c1ccc(/C=N\NS(c2ccccc2)(=O)=O)o1)=O |
| InChI | InChI=1S/C11H9N3O5S/c15-14(16)11-7-6-9(19-11)8-12-13-20(17,18)10-4-2-1-3-5-10/h1-8,13H |
| InChIK | FOWAFPJOQSNQGU-UHFFFAOYSA-N |
| TotalMolweight | 295.274 |
| Molweight | 295.274 |
| MonoisotopicMass | 295.026292 |
| CLogP | 0.8956 |
| CLogS | -2.583 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 211.18 |
| Relative PSA | 0.45497 |
| PolarSurfaceArea | 125.87 |
| Druglikeness | -6.2124 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide | 2 - N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off