1-chloro-3-[(E)-3-phenoxyprop-1-enyl]benzene
Formula:C15H13OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-chloro-3-[(E)-3-phenoxyprop-1-enyl]benzene is a drug-like molecule.
| MolName | 1-chloro-3-[(E)-3-phenoxyprop-1-enyl]benzene |
| MolecularFormula | C15H13OCl |
| Smiles | Clc1cc(/C=C/COc2ccccc2)ccc1 |
| InChI | InChI=1S/C15H13ClO/c16-14-8-4-6-13(12-14)7-5-11-17-15-9-2-1-3-10-15/h1-10,12H,11H2 |
| InChIK | CUFOLRVQQDUPKV-UHFFFAOYSA-N |
| TotalMolweight | 244.72 |
| Molweight | 244.72 |
| MonoisotopicMass | 244.065492 |
| CLogP | 4.3749 |
| CLogS | -4.21 |
| H Acceptors | 1 |
| TotalSurfaceArea | 198.7 |
| Relative PSA | 0.050327 |
| PolarSurfaceArea | 9.23 |
| Druglikeness | -1.7703 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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