2-[(E)-2-pyridin-4-ylethenyl]aniline
Formula:C13H12N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-pyridin-4-ylethenyl]aniline is a drug-like molecule.
| MolName | 2-[(E)-2-pyridin-4-ylethenyl]aniline |
| MolecularFormula | C13H12N2 |
| Smiles | Nc1c(/C=C/c2ccncc2)cccc1 |
| InChI | InChI=1S/C13H12N2/c14-13-4-2-1-3-12(13)6-5-11-7-9-15-10-8-11/h1-10H,14H2 |
| InChIK | MDZZMOKJIZRGNJ-UHFFFAOYSA-N |
| TotalMolweight | 196.252 |
| Molweight | 196.252 |
| MonoisotopicMass | 196.100048 |
| CLogP | 2.1884 |
| CLogS | -3.033 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 166.8 |
| Relative PSA | 0.15731 |
| PolarSurfaceArea | 38.91 |
| Druglikeness | -1.4351 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-pyridin-4-ylethenyl]aniline | 2 - 2-[(E)-2-pyridin-4-ylethenyl]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off