2-[(E)-2-phenylethenyl]aniline
Formula:C14H13N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]aniline is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]aniline |
| MolecularFormula | C14H13N |
| Smiles | Nc1c(/C=C/c2ccccc2)cccc1 |
| InChI | InChI=1S/C14H13N/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11H,15H2 |
| InChIK | BIEFDNUEROKZRA-UHFFFAOYSA-N |
| TotalMolweight | 195.264 |
| Molweight | 195.264 |
| MonoisotopicMass | 195.104799 |
| CLogP | 3.1893 |
| CLogS | -3.828 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 168.04 |
| Relative PSA | 0.090871 |
| PolarSurfaceArea | 26.02 |
| Druglikeness | -1.4351 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-[(E)-2-phenylethenyl]aniline | 2 - 2-[(E)-2-phenylethenyl]aniline
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