(E)-4-phenylsulfanylbut-2-en-1-ol
Formula:C10H12OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-phenylsulfanylbut-2-en-1-ol is a drug-like molecule.
| MolName | (E)-4-phenylsulfanylbut-2-en-1-ol |
| MolecularFormula | C10H12OS |
| Smiles | OC/C=C/CSc1ccccc1 |
| InChI | InChI=1S/C10H12OS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-7,11H,8-9H2 |
| InChIK | BBGQKCGYUMKLJV-UHFFFAOYSA-N |
| TotalMolweight | 180.27 |
| Molweight | 180.27 |
| MonoisotopicMass | 180.060885 |
| CLogP | 2.3637 |
| CLogS | -2.501 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 151.12 |
| Relative PSA | 0.20242 |
| PolarSurfaceArea | 45.53 |
| Druglikeness | -0.89263 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.83333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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