3,5,6-trichloro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
Formula:C13H7N3Cl3F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
3,5,6-trichloro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 3,5,6-trichloro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine |
| MolecularFormula | C13H7N3Cl3F3 |
| Smiles | FC(c1ccc(/C=N\Nc(nc(c(Cl)c2)Cl)c2Cl)cc1)(F)F |
| InChI | InChI=1S/C13H7Cl3F3N3/c14-9-5-10(15)12(21-11(9)16)22-20-6-7-1-3-8(4-2-7)13(17,18)19/h1-6H,(H,21,22) |
| InChIK | ZZIQYMAQRQJLMU-UHFFFAOYSA-N |
| TotalMolweight | 368.573 |
| Molweight | 368.573 |
| MonoisotopicMass | 366.965762 |
| CLogP | 6.9551 |
| CLogS | -5.628 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 243.72 |
| Relative PSA | 0.13926 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -4.8055 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3,5,6-trichloro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine | 2 - 3,5,6-trichloro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
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