2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Formula:C12H7NO3FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate is a drug-like molecule.
| MolName | 2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate |
| MolecularFormula | C12H7NO3FS2 |
| Smiles | [O-]C(CN(C(/C(/S1)=C/c(cccc2)c2F)=O)C1=S)=O |
| InChI | InChI=1S/C12H8FNO3S2/c13-8-4-2-1-3-7(8)5-9-11(17)14(6-10(15)16)12(18)19-9/h1-5H,6H2,(H,15,16)/p-1 |
| InChIK | XBIRTKJQEPDMEI-UHFFFAOYSA-M |
| TotalMolweight | 296.322 |
| Molweight | 296.322 |
| MonoisotopicMass | 295.985137 |
| CLogP | -1.4481 |
| CLogS | -3.227 |
| H Acceptors | 4 |
| TotalSurfaceArea | 208.11 |
| Relative PSA | 0.42958 |
| PolarSurfaceArea | 117.83 |
| Druglikeness | -7.445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate | 2 - 2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off