4-(1,3-dithiolan-2-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole
Formula:C14H13NOS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(1,3-dithiolan-2-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole is a drug-like molecule.
| MolName | 4-(1,3-dithiolan-2-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole |
| MolecularFormula | C14H13NOS2 |
| Smiles | C1SC(c2coc(/C=C/c3ccccc3)n2)SC1 |
| InChI | InChI=1S/C14H13NOS2/c1-2-4-11(5-3-1)6-7-13-15-12(10-16-13)14-17-8-9-18-14/h1-7,10,14H,8-9H2 |
| InChIK | QSWOPCUIRVERJI-UHFFFAOYSA-N |
| TotalMolweight | 275.395 |
| Molweight | 275.395 |
| MonoisotopicMass | 275.043854 |
| CLogP | 3.0061 |
| CLogS | -3.666 |
| H Acceptors | 2 |
| TotalSurfaceArea | 209.47 |
| Relative PSA | 0.28672 |
| PolarSurfaceArea | 76.63 |
| Druglikeness | -2.8075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-(1,3-dithiolan-2-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole | 2 - 4-(1,3-dithiolan-2-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off