3-morpholin-4-ylsulfonyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Formula:C16H16N4O7S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-morpholin-4-ylsulfonyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-morpholin-4-ylsulfonyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide |
| MolecularFormula | C16H16N4O7S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cccc(S(N3CCOCC3)(=O)=O)c2)=O)o1)=O |
| InChI | InChI=1S/C16H16N4O7S/c21-16(18-17-11-13-4-5-15(27-13)20(22)23)12-2-1-3-14(10-12)28(24,25)19-6-8-26-9-7-19/h1-5,10-11H,6-9H2,(H,18,21) |
| InChIK | FEOQWPUZXIQTKX-UHFFFAOYSA-N |
| TotalMolweight | 408.39 |
| Molweight | 408.39 |
| MonoisotopicMass | 408.073971 |
| CLogP | 0.8629 |
| CLogS | -3.594 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 290.77 |
| Relative PSA | 0.42188 |
| PolarSurfaceArea | 155.41 |
| Druglikeness | -1.3213 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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