N-[(Z)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-2-phenoxyaniline
Formula:C20H14N2OClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-2-phenoxyaniline is a drug-like molecule.
| MolName | N-[(Z)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-2-phenoxyaniline |
| MolecularFormula | C20H14N2OClF3 |
| Smiles | FC(c1cc(Cl)c(/C=C\Nc(cccc2)c2Oc2ccccc2)nc1)(F)F |
| InChI | InChI=1S/C20H14ClF3N2O/c21-16-12-14(20(22,23)24)13-26-17(16)10-11-25-18-8-4-5-9-19(18)27-15-6-2-1-3-7-15/h1-13,25H |
| InChIK | METACXRJJDKBJC-UHFFFAOYSA-N |
| TotalMolweight | 390.791 |
| Molweight | 390.791 |
| MonoisotopicMass | 390.074674 |
| CLogP | 4.9403 |
| CLogS | -6.738 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 284.38 |
| Relative PSA | 0.11404 |
| PolarSurfaceArea | 34.15 |
| Druglikeness | -7.8718 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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