[(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(2,4-dichlorophenyl)methylidene]amino]urea
Formula:C14H8N4OCl3F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
[(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(2,4-dichlorophenyl)methylidene]amino]urea is a drug-like molecule.
| MolName | [(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(2,4-dichlorophenyl)methylidene]amino]urea |
| MolecularFormula | C14H8N4OCl3F3 |
| Smiles | NC(N/N=C(\c(ccc(Cl)c1)c1Cl)/c(ncc(C(F)(F)F)c1)c1Cl)=O |
| InChI | InChI=1S/C14H8Cl3F3N4O/c15-7-1-2-8(9(16)4-7)11(23-24-13(21)25)12-10(17)3-6(5-22-12)14(18,19)20/h1-5H,(H3,21,24,25) |
| InChIK | GTFLTGJKRKNQSD-UHFFFAOYSA-N |
| TotalMolweight | 411.598 |
| Molweight | 411.598 |
| MonoisotopicMass | 409.971576 |
| CLogP | 4.0514 |
| CLogS | -6.805 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 268.2 |
| Relative PSA | 0.2321 |
| PolarSurfaceArea | 80.37 |
| Druglikeness | -3.9742 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(2,4-dichlorophenyl)methylidene]amino]urea | 2 - [(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(2,4-dichlorophenyl)methylidene]amino]urea
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