[(Z)-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridin-2-yl]methylideneamino]thiourea
Formula:C11H10N4OF6S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[(Z)-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridin-2-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridin-2-yl]methylideneamino]thiourea |
| MolecularFormula | C11H10N4OF6S |
| Smiles | NC(N/N=C\c1nc(CC(C(F)(F)F)(C(F)(F)F)O)ccc1)=S |
| InChI | InChI=1S/C11H10F6N4OS/c12-10(13,14)9(22,11(15,16)17)4-6-2-1-3-7(20-6)5-19-21-8(18)23/h1-3,5,22H,4H2,(H3,18,21,23) |
| InChIK | AZHYJALZUFPGFK-UHFFFAOYSA-N |
| TotalMolweight | 360.281 |
| Molweight | 360.281 |
| MonoisotopicMass | 360.047949 |
| CLogP | 2.1804 |
| CLogS | -4.114 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 238.91 |
| Relative PSA | 0.37801 |
| PolarSurfaceArea | 115.62 |
| Druglikeness | -15.585 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridin-2-yl]methylideneamino]thiourea | 2 - [(Z)-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridin-2-yl]methylideneamino]thiourea
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