(5Z)-5-[[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H11N2O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H11N2O4ClS2 |
| Smiles | [O-][N+](c1ccc(COc(ccc(/C=C(/C(N2)=O)\SC2=S)c2)c2Cl)cc1)=O |
| InChI | InChI=1S/C17H11ClN2O4S2/c18-13-7-11(8-15-16(21)19-17(25)26-15)3-6-14(13)24-9-10-1-4-12(5-2-10)20(22)23/h1-8H,9H2,(H,19,21,25) |
| InChIK | TWDXJQLFUIMGDE-UHFFFAOYSA-N |
| TotalMolweight | 406.869 |
| Molweight | 406.869 |
| MonoisotopicMass | 405.984875 |
| CLogP | 2.1767 |
| CLogS | -6.037 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 286.49 |
| Relative PSA | 0.38539 |
| PolarSurfaceArea | 141.54 |
| Druglikeness | -2.763 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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