1-(chloromethyl)-4-[(E)-2-phenylethenyl]benzene
Formula:C15H13Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-(chloromethyl)-4-[(E)-2-phenylethenyl]benzene is a drug-like molecule.
| MolName | 1-(chloromethyl)-4-[(E)-2-phenylethenyl]benzene |
| MolecularFormula | C15H13Cl |
| Smiles | ClCc1ccc(/C=C/c2ccccc2)cc1 |
| InChI | InChI=1S/C15H13Cl/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H,12H2 |
| InChIK | IWJQBYQAGGHNAB-UHFFFAOYSA-N |
| TotalMolweight | 228.721 |
| Molweight | 228.721 |
| MonoisotopicMass | 228.070577 |
| CLogP | 4.4007 |
| CLogS | -4.87 |
| TotalSurfaceArea | 188.7 |
| Druglikeness | -1.8584 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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