4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]aniline
Formula:C15H13N3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]aniline is a drug-like molecule.
| MolName | 4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]aniline |
| MolecularFormula | C15H13N3 |
| Smiles | Nc1ccc(/C=C/c2nc(cccc3)c3[nH]2)cc1 |
| InChI | InChI=1S/C15H13N3/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H,16H2,(H,17,18) |
| InChIK | QVMSSHXYEYPLLO-UHFFFAOYSA-N |
| TotalMolweight | 235.289 |
| Molweight | 235.289 |
| MonoisotopicMass | 235.110947 |
| CLogP | 2.6784 |
| CLogS | -3.323 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 190.97 |
| Relative PSA | 0.21066 |
| PolarSurfaceArea | 54.7 |
| Druglikeness | 0.012656 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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