3-[(E)-2-(4-aminophenyl)ethenyl]aniline
Formula:C14H14N2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
3-[(E)-2-(4-aminophenyl)ethenyl]aniline is a drug-like molecule.
| MolName | 3-[(E)-2-(4-aminophenyl)ethenyl]aniline |
| MolecularFormula | C14H14N2 |
| Smiles | Nc1ccc(/C=C/c2cccc(N)c2)cc1 |
| InChI | InChI=1S/C14H14N2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10H,15-16H2 |
| InChIK | IXGDBTKLQUHIAX-UHFFFAOYSA-N |
| TotalMolweight | 210.279 |
| Molweight | 210.279 |
| MonoisotopicMass | 210.115698 |
| CLogP | 2.512 |
| CLogS | -3.904 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 176.56 |
| Relative PSA | 0.17297 |
| PolarSurfaceArea | 52.04 |
| Druglikeness | -1.4351 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon |
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