2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Formula:C13H10N3O4ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C13H10N3O4ClS |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CSc(cc2)ccc2Cl)=O)o1)=O |
| InChI | InChI=1S/C13H10ClN3O4S/c14-9-1-4-11(5-2-9)22-8-12(18)16-15-7-10-3-6-13(21-10)17(19)20/h1-7H,8H2,(H,16,18) |
| InChIK | OUVSQCKQHXQLBC-UHFFFAOYSA-N |
| TotalMolweight | 339.758 |
| Molweight | 339.758 |
| MonoisotopicMass | 339.008054 |
| CLogP | 2.6389 |
| CLogS | -5.666 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 247.02 |
| Relative PSA | 0.39685 |
| PolarSurfaceArea | 125.72 |
| Druglikeness | 3.4311 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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