[(1Z)-2-benzylbuta-1,3-dienyl]benzene
Formula:C17H16
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(1Z)-2-benzylbuta-1,3-dienyl]benzene is not a drug-like molecule.
| MolName | [(1Z)-2-benzylbuta-1,3-dienyl]benzene |
| MolecularFormula | C17H16 |
| Smiles | C=C/C(/Cc1ccccc1)=C\c1ccccc1 |
| InChI | InChI=1S/C17H16/c1-2-15(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h2-13H,1,14H2 |
| InChIK | HRQGYUBBCWTVIJ-UHFFFAOYSA-N |
| TotalMolweight | 220.314 |
| Molweight | 220.314 |
| MonoisotopicMass | 220.1252 |
| CLogP | 5.0674 |
| CLogS | -3.992 |
| TotalSurfaceArea | 196.03 |
| Druglikeness | -3.3981 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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