(5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H9NOClFS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H9NOClFS2 |
| Smiles | O=C(/C(/SC1=S)=C/c(cccc2)c2Cl)N1c1cc(F)ccc1 |
| InChI | InChI=1S/C16H9ClFNOS2/c17-13-7-2-1-4-10(13)8-14-15(20)19(16(21)22-14)12-6-3-5-11(18)9-12/h1-9H |
| InChIK | SHOHXBSXOUVMBK-UHFFFAOYSA-N |
| TotalMolweight | 349.836 |
| Molweight | 349.836 |
| MonoisotopicMass | 348.979809 |
| CLogP | 3.5991 |
| CLogS | -6.033 |
| H Acceptors | 2 |
| TotalSurfaceArea | 244.25 |
| Relative PSA | 0.25417 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 1.4896 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(2-chlorophenyl)methylidene]-3-(3-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off