(Z)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]methanimine
Formula:C14H7N3OCl2F6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(Z)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]methanimine is a drug-like molecule.
| MolName | (Z)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]methanimine |
| MolecularFormula | C14H7N3OCl2F6 |
| Smiles | FC(c1cnc(CO/N=C\c(ncc(C(F)(F)F)c2)c2Cl)c(Cl)c1)(F)F |
| InChI | InChI=1S/C14H7Cl2F6N3O/c15-9-1-7(13(17,18)19)3-23-11(9)5-25-26-6-12-10(16)2-8(4-24-12)14(20,21)22/h1-5H,6H2 |
| InChIK | NMWSJSGJWQVXIM-UHFFFAOYSA-N |
| TotalMolweight | 418.124 |
| Molweight | 418.124 |
| MonoisotopicMass | 416.987034 |
| CLogP | 4.8505 |
| CLogS | -5.128 |
| H Acceptors | 4 |
| TotalSurfaceArea | 268.82 |
| Relative PSA | 0.16163 |
| PolarSurfaceArea | 47.37 |
| Druglikeness | -7.0747 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (Z)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]methanimine | 2 - (Z)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]methanimine
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