[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]urea
Formula:C8H4N3OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]urea |
| MolecularFormula | C8H4N3OF5 |
| Smiles | NC(N/N=C\c(c(F)c(c(F)c1F)F)c1F)=O |
| InChI | InChI=1S/C8H4F5N3O/c9-3-2(1-15-16-8(14)17)4(10)6(12)7(13)5(3)11/h1H,(H3,14,16,17) |
| InChIK | SYORFDLAKRSGMU-UHFFFAOYSA-N |
| TotalMolweight | 253.13 |
| Molweight | 253.13 |
| MonoisotopicMass | 253.027452 |
| CLogP | 1.6393 |
| CLogS | -4.384 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 167.5 |
| Relative PSA | 0.30615 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 2.9567 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]urea | 2 - [(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]urea
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