[(E)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]amino]urea
Formula:C6H7N3O2Cl2F4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]amino]urea is a drug-like molecule.
| MolName | [(E)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]amino]urea |
| MolecularFormula | C6H7N3O2Cl2F4 |
| Smiles | NC(N/N=C/CC(C(F)(F)Cl)(C(F)(F)Cl)O)=O |
| InChI | InChI=1S/C6H7Cl2F4N3O2/c7-5(9,10)4(17,6(8,11)12)1-2-14-15-3(13)16/h2,17H,1H2,(H3,13,15,16) |
| InChIK | LPAVFYYLYJWPGT-UHFFFAOYSA-N |
| TotalMolweight | 300.039 |
| Molweight | 300.039 |
| MonoisotopicMass | 298.985143 |
| CLogP | 1.5794 |
| CLogS | -4.614 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 183.57 |
| Relative PSA | 0.35071 |
| PolarSurfaceArea | 87.71 |
| Druglikeness | 0.15007 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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