(5Z)-3-(4-fluorophenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C20H11N2O4FS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-3-(4-fluorophenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(4-fluorophenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C20H11N2O4FS2 |
| Smiles | [O-][N+](c(cccc1)c1-c1ccc(/C=C(/C(N2c(cc3)ccc3F)=O)\SC2=S)o1)=O |
| InChI | InChI=1S/C20H11FN2O4S2/c21-12-5-7-13(8-6-12)22-19(24)18(29-20(22)28)11-14-9-10-17(27-14)15-3-1-2-4-16(15)23(25)26/h1-11H/b18-11- |
| InChIK | VHIMQFMNNLPWQH-WQRHYEAKSA-N |
| TotalMolweight | 426.447 |
| Molweight | 426.447 |
| MonoisotopicMass | 426.014426 |
| CLogP | 3.0104 |
| CLogS | -7.217 |
| H Acceptors | 6 |
| TotalSurfaceArea | 301.95 |
| Relative PSA | 0.35307 |
| PolarSurfaceArea | 136.66 |
| Druglikeness | -2.5912 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-3-(4-fluorophenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(4-fluorophenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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