(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-3-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C17H10N3OCl2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-3-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-3-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C17H10N3OCl2F3S |
| Smiles | O=C(CS/C1=N\N=C\c(cccc2)c2Cl)N1c(cc(C(F)(F)F)cc1)c1Cl |
| InChI | InChI=1S/C17H10Cl2F3N3OS/c18-12-4-2-1-3-10(12)8-23-24-16-25(15(26)9-27-16)14-7-11(17(20,21)22)5-6-13(14)19/h1-8H,9H2 |
| InChIK | PHRZYKPHQMOAKZ-UHFFFAOYSA-N |
| TotalMolweight | 432.252 |
| Molweight | 432.252 |
| MonoisotopicMass | 430.98737 |
| CLogP | 6.3771 |
| CLogS | -7.244 |
| H Acceptors | 4 |
| TotalSurfaceArea | 286.85 |
| Relative PSA | 0.19906 |
| 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 | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-3-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-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