N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
Formula:C16H12N4O6S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C16H12N4O6S2 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c(cc2)ccc2NS(c2cccs2)(=O)=O)=O)o1)=O |
| InChI | InChI=1S/C16H12N4O6S2/c21-16(18-17-10-13-7-8-14(26-13)20(22)23)11-3-5-12(6-4-11)19-28(24,25)15-2-1-9-27-15/h1-10,19H,(H,18,21) |
| InChIK | ORRACJOLCZOMMH-UHFFFAOYSA-N |
| TotalMolweight | 420.425 |
| Molweight | 420.425 |
| MonoisotopicMass | 420.019826 |
| CLogP | 2.1083 |
| CLogS | -5.638 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 296.09 |
| Relative PSA | 0.476 |
| PolarSurfaceArea | 183.21 |
| Druglikeness | 4.645 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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