N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(2,4-dichlorophenyl)methylidene]amino]aniline
Formula:C19H11N3Cl3F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(2,4-dichlorophenyl)methylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(2,4-dichlorophenyl)methylidene]amino]aniline |
| MolecularFormula | C19H11N3Cl3F3 |
| Smiles | FC(c1cc(Cl)c(/C(/c(ccc(Cl)c2)c2Cl)=N\Nc2ccccc2)nc1)(F)F |
| InChI | InChI=1S/C19H11Cl3F3N3/c20-12-6-7-14(15(21)9-12)17(28-27-13-4-2-1-3-5-13)18-16(22)8-11(10-26-18)19(23,24)25/h1-10,27H |
| InChIK | RWSNZPOZOSGWPK-UHFFFAOYSA-N |
| TotalMolweight | 444.67 |
| Molweight | 444.67 |
| MonoisotopicMass | 442.997062 |
| CLogP | 7.757 |
| CLogS | -7.14 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 301.69 |
| Relative PSA | 0.1125 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -5.8939 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(2,4-dichlorophenyl)methylidene]amino]aniline | 2 - N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-(2,4-dichlorophenyl)methylidene]amino]aniline
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