N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-3-(trifluoromethyl)aniline
Formula:C13H8N3Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-3-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-3-(trifluoromethyl)aniline |
| MolecularFormula | C13H8N3Cl2F3 |
| Smiles | FC(c1cccc(N/N=C/c2cc(Cl)nc(Cl)c2)c1)(F)F |
| InChI | InChI=1S/C13H8Cl2F3N3/c14-11-4-8(5-12(15)20-11)7-19-21-10-3-1-2-9(6-10)13(16,17)18/h1-7,21H |
| InChIK | CFEVPQLROGXWMY-UHFFFAOYSA-N |
| TotalMolweight | 334.128 |
| Molweight | 334.128 |
| MonoisotopicMass | 333.004735 |
| CLogP | 6.0951 |
| CLogS | -4.13 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 228.3 |
| Relative PSA | 0.14866 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-3-(trifluoromethyl)aniline | 2 - N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-3-(trifluoromethyl)aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off