5-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-benzothiophene-2-carboxamide
Formula:C14H8N4O6S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | 5-nitro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C14H8N4O6S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cc(cc(cc3)[N+]([O-])=O)c3s2)=O)o1)=O |
| InChI | InChI=1S/C14H8N4O6S/c19-14(16-15-7-10-2-4-13(24-10)18(22)23)12-6-8-5-9(17(20)21)1-3-11(8)25-12/h1-7H,(H,16,19) |
| InChIK | JEHFRWZQMXBSCX-UHFFFAOYSA-N |
| TotalMolweight | 360.306 |
| Molweight | 360.306 |
| MonoisotopicMass | 360.016456 |
| CLogP | 1.8197 |
| CLogS | -6.197 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 254.56 |
| Relative PSA | 0.51587 |
| PolarSurfaceArea | 174.48 |
| Druglikeness | 3.9721 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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