3-[5-[(E)-2-phenylethenyl]pyrazol-1-yl]thiolane 1,1-dioxide
Formula:C15H16N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[5-[(E)-2-phenylethenyl]pyrazol-1-yl]thiolane 1,1-dioxide is a drug-like molecule.
| MolName | 3-[5-[(E)-2-phenylethenyl]pyrazol-1-yl]thiolane 1,1-dioxide |
| MolecularFormula | C15H16N2O2S |
| Smiles | O=S(CC1)(CC1n1nccc1/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C15H16N2O2S/c18-20(19)11-9-15(12-20)17-14(8-10-16-17)7-6-13-4-2-1-3-5-13/h1-8,10,15H,9,11-12H2/t15-/m1/s1 |
| InChIK | WYNAEVOUDXWVQH-OAHLLOKOSA-N |
| TotalMolweight | 288.37 |
| Molweight | 288.37 |
| MonoisotopicMass | 288.093248 |
| CLogP | 1.6347 |
| CLogS | -2.329 |
| H Acceptors | 4 |
| TotalSurfaceArea | 216.34 |
| Relative PSA | 0.21457 |
| PolarSurfaceArea | 60.34 |
| Druglikeness | -0.25256 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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