4-[(Z)-inden-1-ylidenemethyl]benzonitrile
Formula:C17H11N
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
4-[(Z)-inden-1-ylidenemethyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-inden-1-ylidenemethyl]benzonitrile |
| MolecularFormula | C17H11N |
| Smiles | N#Cc1ccc(/C=C(/C=C2)\c3c2cccc3)cc1 |
| InChI | InChI=1S/C17H11N/c18-12-14-7-5-13(6-8-14)11-16-10-9-15-3-1-2-4-17(15)16/h1-11H |
| InChIK | WYRSEGHRHYPFFS-UHFFFAOYSA-N |
| TotalMolweight | 229.281 |
| Molweight | 229.281 |
| MonoisotopicMass | 229.089149 |
| CLogP | 3.643 |
| CLogS | -4.708 |
| H Acceptors | 1 |
| TotalSurfaceArea | 192.44 |
| Relative PSA | 0.070464 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -4.7908 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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