[(E)-[2,2,3,3-tetrafluoro-1-phenyl-3-(trifluoromethoxy)propylidene]amino]urea
Formula:C11H8N3O2F7
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[(E)-[2,2,3,3-tetrafluoro-1-phenyl-3-(trifluoromethoxy)propylidene]amino]urea is a drug-like molecule.
| MolName | [(E)-[2,2,3,3-tetrafluoro-1-phenyl-3-(trifluoromethoxy)propylidene]amino]urea |
| MolecularFormula | C11H8N3O2F7 |
| Smiles | NC(N/N=C(/C(C(OC(F)(F)F)(F)F)(F)F)\c1ccccc1)=O |
| InChI | InChI=1S/C11H8F7N3O2/c12-9(13,10(14,15)23-11(16,17)18)7(20-21-8(19)22)6-4-2-1-3-5-6/h1-5H,(H3,19,21,22) |
| InChIK | PPHGTCYBWSLWEC-UHFFFAOYSA-N |
| TotalMolweight | 347.19 |
| Molweight | 347.19 |
| MonoisotopicMass | 347.050473 |
| CLogP | 3.1623 |
| CLogS | -5.183 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 219.64 |
| Relative PSA | 0.279 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | -27.762 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.43478 |
| 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 | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[2,2,3,3-tetrafluoro-1-phenyl-3-(trifluoromethoxy)propylidene]amino]urea | 2 - [(E)-[2,2,3,3-tetrafluoro-1-phenyl-3-(trifluoromethoxy)propylidene]amino]urea
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