1-chloro-4-[(E)-3-phenylprop-2-enyl]sulfanylbenzene
Formula:C15H13ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
1-chloro-4-[(E)-3-phenylprop-2-enyl]sulfanylbenzene is not a drug-like molecule.
| MolName | 1-chloro-4-[(E)-3-phenylprop-2-enyl]sulfanylbenzene |
| MolecularFormula | C15H13ClS |
| Smiles | Clc(cc1)ccc1SC/C=C/c1ccccc1 |
| InChI | InChI=1S/C15H13ClS/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-11H,12H2 |
| InChIK | QYRBZQGNYRVPPI-UHFFFAOYSA-N |
| TotalMolweight | 260.787 |
| Molweight | 260.787 |
| MonoisotopicMass | 260.042647 |
| CLogP | 5.0128 |
| CLogS | -4.972 |
| TotalSurfaceArea | 206.19 |
| Relative PSA | 0.084825 |
| PolarSurfaceArea | 25.3 |
| Druglikeness | -0.70496 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76471 |
| 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 | 4 |
| StereoCon |
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