5-phenyl-3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1H-imidazole-2-thione
Formula:C17H12N3F3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-phenyl-3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1H-imidazole-2-thione is a drug-like molecule.
| MolName | 5-phenyl-3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1H-imidazole-2-thione |
| MolecularFormula | C17H12N3F3S |
| Smiles | FC(c1cccc(/C=N\N(C=C(c2ccccc2)N2)C2=S)c1)(F)F |
| InChI | InChI=1S/C17H12F3N3S/c18-17(19,20)14-8-4-5-12(9-14)10-21-23-11-15(22-16(23)24)13-6-2-1-3-7-13/h1-11H,(H,22,24) |
| InChIK | UDZHHKBOQVMASB-UHFFFAOYSA-N |
| TotalMolweight | 347.363 |
| Molweight | 347.363 |
| MonoisotopicMass | 347.070401 |
| CLogP | 4.2744 |
| CLogS | -4.995 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 252.92 |
| Relative PSA | 0.21556 |
| PolarSurfaceArea | 59.72 |
| Druglikeness | -3.7033 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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