(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C17H11N3OClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C17H11N3OClF3S |
| Smiles | O=C(CS/C1=N\N=C\c2ccccc2)N1c(cc(C(F)(F)F)cc1)c1Cl |
| InChI | InChI=1S/C17H11ClF3N3OS/c18-13-7-6-12(17(19,20)21)8-14(13)24-15(25)10-26-16(24)23-22-9-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIK | LGYKIDVGYUWSPS-UHFFFAOYSA-N |
| TotalMolweight | 397.807 |
| Molweight | 397.807 |
| MonoisotopicMass | 397.026343 |
| CLogP | 5.7711 |
| CLogS | -6.508 |
| H Acceptors | 4 |
| TotalSurfaceArea | 271.43 |
| Relative PSA | 0.21037 |
| PolarSurfaceArea | 70.33 |
| Druglikeness | -3.1543 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off