1-chloro-4-[4-[(E)-2-phenylethenyl]phenoxy]benzene
Formula:C20H15OCl
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
1-chloro-4-[4-[(E)-2-phenylethenyl]phenoxy]benzene is not a drug-like molecule.
| MolName | 1-chloro-4-[4-[(E)-2-phenylethenyl]phenoxy]benzene |
| MolecularFormula | C20H15OCl |
| Smiles | Clc(cc1)ccc1Oc1ccc(/C=C/c2ccccc2)cc1 |
| InChI | InChI=1S/C20H15ClO/c21-18-10-14-20(15-11-18)22-19-12-8-17(9-13-19)7-6-16-4-2-1-3-5-16/h1-15H |
| InChIK | FSOFHHFKVCXSLI-UHFFFAOYSA-N |
| TotalMolweight | 306.791 |
| Molweight | 306.791 |
| MonoisotopicMass | 306.081142 |
| CLogP | 5.8682 |
| CLogS | -6.785 |
| H Acceptors | 1 |
| TotalSurfaceArea | 244.7 |
| Relative PSA | 0.040866 |
| PolarSurfaceArea | 9.23 |
| Druglikeness | -1.5508 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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