3,5,6-trichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]pyridin-2-amine
Formula:C12H6N3Cl4F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
3,5,6-trichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 3,5,6-trichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C12H6N3Cl4F |
| Smiles | Fc1cccc(Cl)c1/C=N\Nc(nc(c(Cl)c1)Cl)c1Cl |
| InChI | InChI=1S/C12H6Cl4FN3/c13-7-2-1-3-10(17)6(7)5-18-20-12-9(15)4-8(14)11(16)19-12/h1-5H,(H,19,20) |
| InChIK | OTROIKJWDNRCFQ-UHFFFAOYSA-N |
| TotalMolweight | 353.011 |
| Molweight | 353.011 |
| MonoisotopicMass | 350.929983 |
| CLogP | 6.8136 |
| CLogS | -5.9 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 236.03 |
| Relative PSA | 0.1438 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 1.0445 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3,5,6-trichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]pyridin-2-amine | 2 - 3,5,6-trichloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]pyridin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off