3-(5-nitrofuran-2-yl)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide
Formula:C12H6N6O7S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(5-nitrofuran-2-yl)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide is not a drug-like molecule.
| MolName | 3-(5-nitrofuran-2-yl)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide |
| MolecularFormula | C12H6N6O7S |
| Smiles | [O-][N+](c1ccc(-c2noc(C(N/N=C\c3ccc([N+]([O-])=O)s3)=O)n2)o1)=O |
| InChI | InChI=1S/C12H6N6O7S/c19-11(15-13-5-6-1-4-9(26-6)18(22)23)12-14-10(16-25-12)7-2-3-8(24-7)17(20)21/h1-5H,(H,15,19) |
| InChIK | ORINJNMENWKYSK-UHFFFAOYSA-N |
| TotalMolweight | 378.281 |
| Molweight | 378.281 |
| MonoisotopicMass | 378.001869 |
| CLogP | 0.8108 |
| CLogS | -5.579 |
| H Acceptors | 13 |
| H Donors | 1 |
| TotalSurfaceArea | 266.93 |
| Relative PSA | 0.62702 |
| PolarSurfaceArea | 213.4 |
| Druglikeness | 3.4115 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-(5-nitrofuran-2-yl)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide | 2 - 3-(5-nitrofuran-2-yl)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off