(5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H7NO2ClF3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H7NO2ClF3S2 |
| Smiles | O=C(/C(/S1)=C/c2ccc(-c(cc(C(F)(F)F)cc3)c3Cl)o2)NC1=S |
| InChI | InChI=1S/C15H7ClF3NO2S2/c16-10-3-1-7(15(17,18)19)5-9(10)11-4-2-8(22-11)6-12-13(21)20-14(23)24-12/h1-6H,(H,20,21,23) |
| InChIK | BPRSBRLAEGVZLR-UHFFFAOYSA-N |
| TotalMolweight | 389.805 |
| Molweight | 389.805 |
| MonoisotopicMass | 388.95588 |
| CLogP | 3.5374 |
| CLogS | -6.474 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 258.21 |
| Relative PSA | 0.3257 |
| PolarSurfaceArea | 99.63 |
| Druglikeness | -3.7399 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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