| MolName | [(Z)-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]methylideneamino]urea |
| MolecularFormula | C14H9N3OF6S |
| Smiles | NC(N/N=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)=O |
| InChI | InChI=1S/C14H9F6N3OS/c15-13(16,17)8-3-7(4-9(5-8)14(18,19)20)11-2-1-10(25-11)6-22-23-12(21)24/h1-6H,(H3,21,23,24) |
| InChIK | ALIFCOQPWLWPBW-UHFFFAOYSA-N |
| TotalMolweight | 381.299 |
| Molweight | 381.299 |
| MonoisotopicMass | 381.03705 |
| CLogP | 4.5968 |
| CLogS | -6.487 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 250.37 |
| Relative PSA | 0.28614 |
| PolarSurfaceArea | 95.72 |
| Druglikeness | -1.7432 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]methylideneamino]urea | 2 - [(Z)-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]methylideneamino]urea