(5E)-5-[(2,4-dichloro-5-nitrophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C17H7N2O3Cl2F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5E)-5-[(2,4-dichloro-5-nitrophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(2,4-dichloro-5-nitrophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C17H7N2O3Cl2F3S2 |
| Smiles | [O-][N+](c(cc(/C=C(\C(N1c2cc(C(F)(F)F)ccc2)=O)/SC1=S)c(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C17H7Cl2F3N2O3S2/c18-11-7-12(19)13(24(26)27)4-8(11)5-14-15(25)23(16(28)29-14)10-3-1-2-9(6-10)17(20,21)22/h1-7H |
| InChIK | WXLLFDHJQWRTRD-UHFFFAOYSA-N |
| TotalMolweight | 479.286 |
| Molweight | 479.286 |
| MonoisotopicMass | 477.922721 |
| CLogP | 4.031 |
| CLogS | -7.693 |
| H Acceptors | 5 |
| TotalSurfaceArea | 306.45 |
| Relative PSA | 0.30184 |
| PolarSurfaceArea | 123.52 |
| Druglikeness | -9.4079 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-5-[(2,4-dichloro-5-nitrophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5E)-5-[(2,4-dichloro-5-nitrophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
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