(Z)-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]-1-(2,6-dichlorophenyl)methanimine
Formula:C14H8N2OCl3F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(Z)-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]-1-(2,6-dichlorophenyl)methanimine is not a drug-like molecule.
| MolName | (Z)-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]-1-(2,6-dichlorophenyl)methanimine |
| MolecularFormula | C14H8N2OCl3F3 |
| Smiles | FC(c1cc(Cl)c(CO/N=C\c(c(Cl)ccc2)c2Cl)nc1)(F)F |
| InChI | InChI=1S/C14H8Cl3F3N2O/c15-10-2-1-3-11(16)9(10)6-22-23-7-13-12(17)4-8(5-21-13)14(18,19)20/h1-6H,7H2 |
| InChIK | WNPBFYUVWOYCPD-UHFFFAOYSA-N |
| TotalMolweight | 383.584 |
| Molweight | 383.584 |
| MonoisotopicMass | 381.965428 |
| CLogP | 5.5551 |
| CLogS | -5.857 |
| H Acceptors | 3 |
| TotalSurfaceArea | 256.02 |
| Relative PSA | 0.12687 |
| PolarSurfaceArea | 34.48 |
| Druglikeness | -7.0747 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]-1-(2,6-dichlorophenyl)methanimine | 2 - (Z)-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]-1-(2,6-dichlorophenyl)methanimine
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