N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-pyridin-3-ylmethylidene]amino]aniline
Formula:C18H12N4ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-pyridin-3-ylmethylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-pyridin-3-ylmethylidene]amino]aniline |
| MolecularFormula | C18H12N4ClF3 |
| Smiles | FC(c1cc(Cl)c(/C(/c2cnccc2)=N\Nc2ccccc2)nc1)(F)F |
| InChI | InChI=1S/C18H12ClF3N4/c19-15-9-13(18(20,21)22)11-24-17(15)16(12-5-4-8-23-10-12)26-25-14-6-2-1-3-7-14/h1-11,25H |
| InChIK | AHXBLDSMVSERDD-UHFFFAOYSA-N |
| TotalMolweight | 376.768 |
| Molweight | 376.768 |
| MonoisotopicMass | 376.070257 |
| CLogP | 5.5441 |
| CLogS | -4.873 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 269.61 |
| Relative PSA | 0.16657 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -5.8939 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-pyridin-3-ylmethylidene]amino]aniline | 2 - N-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-pyridin-3-ylmethylidene]amino]aniline
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