(5Z)-3-(4-nitrophenyl)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
Formula:C17H9N2O3F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(4-nitrophenyl)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(4-nitrophenyl)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C17H9N2O3F3S2 |
| Smiles | [O-][N+](c(cc1)ccc1N(C(/C(/S1)=C/c2ccc(C(F)(F)F)cc2)=O)C1=S)=O |
| InChI | InChI=1S/C17H9F3N2O3S2/c18-17(19,20)11-3-1-10(2-4-11)9-14-15(23)21(16(26)27-14)12-5-7-13(8-6-12)22(24)25/h1-9H |
| InChIK | UERBWAIJJXLAQL-UHFFFAOYSA-N |
| TotalMolweight | 410.395 |
| Molweight | 410.395 |
| MonoisotopicMass | 410.000667 |
| CLogP | 2.819 |
| CLogS | -6.221 |
| H Acceptors | 5 |
| TotalSurfaceArea | 275.61 |
| Relative PSA | 0.33562 |
| PolarSurfaceArea | 123.52 |
| Druglikeness | -9.4783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-3-(4-nitrophenyl)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one | 2 - (5Z)-3-(4-nitrophenyl)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
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