4-[(Z)-inden-1-ylidenemethyl]aniline
Formula:C16H13N
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
4-[(Z)-inden-1-ylidenemethyl]aniline is a drug-like molecule.
| MolName | 4-[(Z)-inden-1-ylidenemethyl]aniline |
| MolecularFormula | C16H13N |
| Smiles | Nc1ccc(/C=C(/C=C2)\c3c2cccc3)cc1 |
| InChI | InChI=1S/C16H13N/c17-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)14/h1-11H,17H2 |
| InChIK | GISMNWZLKDONAA-UHFFFAOYSA-N |
| TotalMolweight | 219.286 |
| Molweight | 219.286 |
| MonoisotopicMass | 219.104799 |
| CLogP | 3.1301 |
| CLogS | -4.011 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 179.25 |
| Relative PSA | 0.085188 |
| PolarSurfaceArea | 26.02 |
| Druglikeness | -0.53736 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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