N-[(Z)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]-4-(trifluoromethoxy)aniline
Formula:C14H8N3OClF6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]-4-(trifluoromethoxy)aniline is not a drug-like molecule.
| MolName | N-[(Z)-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylideneamino]-4-(trifluoromethoxy)aniline |
| MolecularFormula | C14H8N3OClF6 |
| Smiles | FC(c1cc(Cl)c(/C=N\Nc(cc2)ccc2OC(F)(F)F)nc1)(F)F |
| InChI | InChI=1S/C14H8ClF6N3O/c15-11-5-8(13(16,17)18)6-22-12(11)7-23-24-9-1-3-10(4-2-9)25-14(19,20)21/h1-7,24H |
| InChIK | GAHVRNWOUBHATC-UHFFFAOYSA-N |
| TotalMolweight | 383.679 |
| Molweight | 383.679 |
| MonoisotopicMass | 383.026007 |
| CLogP | 6.4473 |
| CLogS | -4.915 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 252.34 |
| Relative PSA | 0.17413 |
| PolarSurfaceArea | 46.51 |
| Druglikeness | -8.6908 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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