3-chloro-N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]aniline
Formula:C14H9N2Cl2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-chloro-N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]aniline is a drug-like molecule.
| MolName | 3-chloro-N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]aniline |
| MolecularFormula | C14H9N2Cl2F3 |
| Smiles | FC(c1cc(Cl)c(/C=C/Nc2cc(Cl)ccc2)nc1)(F)F |
| InChI | InChI=1S/C14H9Cl2F3N2/c15-10-2-1-3-11(7-10)20-5-4-13-12(16)6-9(8-21-13)14(17,18)19/h1-8,20H |
| InChIK | FQHBXEASGPJMMU-UHFFFAOYSA-N |
| TotalMolweight | 333.139 |
| Molweight | 333.139 |
| MonoisotopicMass | 332.009486 |
| CLogP | 4.1507 |
| CLogS | -5.177 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 230.04 |
| Relative PSA | 0.097505 |
| PolarSurfaceArea | 24.92 |
| Druglikeness | -7.7899 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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