2,4-dichloro-N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]aniline
Formula:C14H8N2Cl3F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
2,4-dichloro-N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]aniline is a drug-like molecule.
| MolName | 2,4-dichloro-N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]aniline |
| MolecularFormula | C14H8N2Cl3F3 |
| Smiles | FC(c1cnc(/C=C/Nc(ccc(Cl)c2)c2Cl)c(Cl)c1)(F)F |
| InChI | InChI=1S/C14H8Cl3F3N2/c15-9-1-2-12(11(17)6-9)21-4-3-13-10(16)5-8(7-22-13)14(18,19)20/h1-7,21H |
| InChIK | PQHOBVJPBBFCER-UHFFFAOYSA-N |
| TotalMolweight | 367.585 |
| Molweight | 367.585 |
| MonoisotopicMass | 365.970513 |
| CLogP | 4.7567 |
| CLogS | -5.913 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 245.46 |
| Relative PSA | 0.091379 |
| PolarSurfaceArea | 24.92 |
| Druglikeness | -7.7899 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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1 - 2,4-dichloro-N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]aniline | 2 - 2,4-dichloro-N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]aniline
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