N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]aniline
Formula:C14H10N2ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]aniline is a drug-like molecule.
| MolName | N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]aniline |
| MolecularFormula | C14H10N2ClF3 |
| Smiles | FC(c1cc(Cl)c(/C=C/Nc2ccccc2)nc1)(F)F |
| InChI | InChI=1S/C14H10ClF3N2/c15-12-8-10(14(16,17)18)9-20-13(12)6-7-19-11-4-2-1-3-5-11/h1-9,19H |
| InChIK | IMQNFDHNWFSRQZ-UHFFFAOYSA-N |
| TotalMolweight | 298.694 |
| Molweight | 298.694 |
| MonoisotopicMass | 298.048459 |
| CLogP | 3.5447 |
| CLogS | -4.441 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 214.62 |
| Relative PSA | 0.10451 |
| PolarSurfaceArea | 24.92 |
| Druglikeness | -7.7899 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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