(5Z)-3-[(Z)-furan-2-ylmethylideneamino]-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H9N3O4S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(Z)-furan-2-ylmethylideneamino]-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-[(Z)-furan-2-ylmethylideneamino]-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H9N3O4S2 |
| Smiles | [O-][N+](c1ccc(/C=C(/C(N2/N=C\c3ccco3)=O)\SC2=S)cc1)=O |
| InChI | InChI=1S/C15H9N3O4S2/c19-14-13(8-10-3-5-11(6-4-10)18(20)21)24-15(23)17(14)16-9-12-2-1-7-22-12/h1-9H |
| InChIK | FULYYPQZMACKDW-UHFFFAOYSA-N |
| TotalMolweight | 359.385 |
| Molweight | 359.385 |
| MonoisotopicMass | 359.003447 |
| CLogP | 1.3223 |
| CLogS | -5.237 |
| H Acceptors | 7 |
| TotalSurfaceArea | 260.6 |
| Relative PSA | 0.45326 |
| PolarSurfaceArea | 149.02 |
| Druglikeness | -0.50284 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-3-[(Z)-furan-2-ylmethylideneamino]-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-[(Z)-furan-2-ylmethylideneamino]-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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