N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-4-fluoroaniline
Formula:C14H9N2ClF4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-4-fluoroaniline is a drug-like molecule.
| MolName | N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-4-fluoroaniline |
| MolecularFormula | C14H9N2ClF4 |
| Smiles | FC(c1cc(Cl)c(/C=C/Nc(cc2)ccc2F)nc1)(F)F |
| InChI | InChI=1S/C14H9ClF4N2/c15-12-7-9(14(17,18)19)8-21-13(12)5-6-20-11-3-1-10(16)2-4-11/h1-8,20H |
| InChIK | NXNMKQXVAFRTGQ-UHFFFAOYSA-N |
| TotalMolweight | 316.684 |
| Molweight | 316.684 |
| MonoisotopicMass | 316.039037 |
| CLogP | 3.6455 |
| CLogS | -4.755 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 220.97 |
| Relative PSA | 0.10151 |
| PolarSurfaceArea | 24.92 |
| Druglikeness | -7.7899 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-4-fluoroaniline | 2 - N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-4-fluoroaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off