(4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-5-one
Formula:C17H10NOF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-5-one |
| MolecularFormula | C17H10NOF3S |
| Smiles | O=C1SC(c2ccccc2)=N/C1=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C17H10F3NOS/c18-17(19,20)13-8-6-11(7-9-13)10-14-16(22)23-15(21-14)12-4-2-1-3-5-12/h1-10H |
| InChIK | IRRYOZJUAHTDQA-UHFFFAOYSA-N |
| TotalMolweight | 333.332 |
| Molweight | 333.332 |
| MonoisotopicMass | 333.043518 |
| CLogP | 4.6265 |
| CLogS | -4.976 |
| H Acceptors | 2 |
| TotalSurfaceArea | 231.9 |
| Relative PSA | 0.18129 |
| PolarSurfaceArea | 54.73 |
| Druglikeness | -5.179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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