N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-3-(trifluoromethyl)aniline
Formula:C15H9N2ClF6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-3-(trifluoromethyl)aniline is a drug-like molecule.
| MolName | N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-3-(trifluoromethyl)aniline |
| MolecularFormula | C15H9N2ClF6 |
| Smiles | FC(c1cccc(N/C=C/c(ncc(C(F)(F)F)c2)c2Cl)c1)(F)F |
| InChI | InChI=1S/C15H9ClF6N2/c16-12-7-10(15(20,21)22)8-24-13(12)4-5-23-11-3-1-2-9(6-11)14(17,18)19/h1-8,23H |
| InChIK | QYXDJUZRODRNEM-UHFFFAOYSA-N |
| TotalMolweight | 366.691 |
| Molweight | 366.691 |
| MonoisotopicMass | 366.035843 |
| CLogP | 4.393 |
| CLogS | -5.219 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 244.08 |
| Relative PSA | 0.091896 |
| PolarSurfaceArea | 24.92 |
| Druglikeness | -7.7899 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-3-(trifluoromethyl)aniline | 2 - N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-3-(trifluoromethyl)aniline
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