(4Z)-4-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one
Formula:C14H10N4O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one is a drug-like molecule.
| MolName | (4Z)-4-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one |
| MolecularFormula | C14H10N4O4S |
| Smiles | [O-][N+](c1ccc(/C=N\N=C(\CSC2=O)/N2c2ccccc2)o1)=O |
| InChI | InChI=1S/C14H10N4O4S/c19-14-17(10-4-2-1-3-5-10)12(9-23-14)16-15-8-11-6-7-13(22-11)18(20)21/h1-8H,9H2 |
| InChIK | UNPOYGZNPMDZEZ-UHFFFAOYSA-N |
| TotalMolweight | 330.323 |
| Molweight | 330.323 |
| MonoisotopicMass | 330.042276 |
| CLogP | 2.9353 |
| CLogS | -5.661 |
| H Acceptors | 8 |
| TotalSurfaceArea | 239.91 |
| Relative PSA | 0.42362 |
| PolarSurfaceArea | 129.29 |
| Druglikeness | 1.0488 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (4Z)-4-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one | 2 - (4Z)-4-[(Z)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-2-one
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