(5Z)-3-(3-fluorophenyl)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H9N2O3FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(3-fluorophenyl)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(3-fluorophenyl)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H9N2O3FS2 |
| Smiles | [O-][N+](c1c(/C=C(/C(N2c3cc(F)ccc3)=O)\SC2=S)cccc1)=O |
| InChI | InChI=1S/C16H9FN2O3S2/c17-11-5-3-6-12(9-11)18-15(20)14(24-16(18)23)8-10-4-1-2-7-13(10)19(21)22/h1-9H |
| InChIK | CHQFGBNWZBKQEI-UHFFFAOYSA-N |
| TotalMolweight | 360.388 |
| Molweight | 360.388 |
| MonoisotopicMass | 360.003861 |
| CLogP | 2.0715 |
| CLogS | -5.757 |
| H Acceptors | 5 |
| TotalSurfaceArea | 252.5 |
| Relative PSA | 0.36634 |
| PolarSurfaceArea | 123.52 |
| Druglikeness | -3.6283 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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