(1Z)-N-(2-chloroanilino)-2-oxo-2-[2-(trifluoromethoxy)phenyl]ethanimidoyl cyanide
Formula:C16H9N3O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-N-(2-chloroanilino)-2-oxo-2-[2-(trifluoromethoxy)phenyl]ethanimidoyl cyanide is not a drug-like molecule.
| MolName | (1Z)-N-(2-chloroanilino)-2-oxo-2-[2-(trifluoromethoxy)phenyl]ethanimidoyl cyanide |
| MolecularFormula | C16H9N3O2ClF3 |
| Smiles | N#C/C(/C(c(cccc1)c1OC(F)(F)F)=O)=N/Nc(cccc1)c1Cl |
| InChI | InChI=1S/C16H9ClF3N3O2/c17-11-6-2-3-7-12(11)22-23-13(9-21)15(24)10-5-1-4-8-14(10)25-16(18,19)20/h1-8,22H |
| InChIK | UNFNHPPWRCHVAI-UHFFFAOYSA-N |
| TotalMolweight | 367.713 |
| Molweight | 367.713 |
| MonoisotopicMass | 367.033538 |
| CLogP | 5.1308 |
| CLogS | -5.338 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 261.79 |
| Relative PSA | 0.22755 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -10.002 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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