(E)-3-phenylsulfanylprop-2-enal
Formula:C9H8OS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-3-phenylsulfanylprop-2-enal is a drug-like molecule.
| MolName | (E)-3-phenylsulfanylprop-2-enal |
| MolecularFormula | C9H8OS |
| Smiles | O=C/C=C/Sc1ccccc1 |
| InChI | InChI=1S/C9H8OS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-8H |
| InChIK | PXFLRESLTPQAMY-UHFFFAOYSA-N |
| TotalMolweight | 164.228 |
| Molweight | 164.228 |
| MonoisotopicMass | 164.029585 |
| CLogP | 1.6577 |
| CLogS | -2.62 |
| H Acceptors | 1 |
| TotalSurfaceArea | 136.79 |
| Relative PSA | 0.22319 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | -4.7642 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.81818 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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