4-[(E)-2-quinolin-4-ylethenyl]aniline
Formula:C17H14N2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
4-[(E)-2-quinolin-4-ylethenyl]aniline is a drug-like molecule.
| MolName | 4-[(E)-2-quinolin-4-ylethenyl]aniline |
| MolecularFormula | C17H14N2 |
| Smiles | Nc1ccc(/C=C/c2ccnc3ccccc23)cc1 |
| InChI | InChI=1S/C17H14N2/c18-15-9-6-13(7-10-15)5-8-14-11-12-19-17-4-2-1-3-16(14)17/h1-12H,18H2 |
| InChIK | ZAEBBDZNEDAXHL-UHFFFAOYSA-N |
| TotalMolweight | 246.312 |
| Molweight | 246.312 |
| MonoisotopicMass | 246.115698 |
| CLogP | 3.5053 |
| CLogS | -4.534 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 201.4 |
| Relative PSA | 0.13029 |
| PolarSurfaceArea | 38.91 |
| Druglikeness | -1.4351 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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