(5Z)-3-(3,4-difluorophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H8N2O3F2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(3,4-difluorophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(3,4-difluorophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H8N2O3F2S2 |
| Smiles | [O-][N+](c1cccc(/C=C(/C(N2c(cc3)cc(F)c3F)=O)\SC2=S)c1)=O |
| InChI | InChI=1S/C16H8F2N2O3S2/c17-12-5-4-10(8-13(12)18)19-15(21)14(25-16(19)24)7-9-2-1-3-11(6-9)20(22)23/h1-8H |
| InChIK | ISTMKGZXMIARJB-UHFFFAOYSA-N |
| TotalMolweight | 378.379 |
| Molweight | 378.379 |
| MonoisotopicMass | 377.994439 |
| CLogP | 2.1723 |
| CLogS | -6.071 |
| H Acceptors | 5 |
| TotalSurfaceArea | 258.85 |
| Relative PSA | 0.35735 |
| PolarSurfaceArea | 123.52 |
| Druglikeness | -3.6283 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-3-(3,4-difluorophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(3,4-difluorophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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