1-[(E)-2-phenylethenyl]sulfonylpiperazine
Formula:C12H16N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-phenylethenyl]sulfonylpiperazine is a drug-like molecule.
| MolName | 1-[(E)-2-phenylethenyl]sulfonylpiperazine |
| MolecularFormula | C12H16N2O2S |
| Smiles | O=S(/C=C/c1ccccc1)(N1CCNCC1)=O |
| InChI | InChI=1S/C12H16N2O2S/c15-17(16,14-9-7-13-8-10-14)11-6-12-4-2-1-3-5-12/h1-6,11,13H,7-10H2 |
| InChIK | RKZQNDSKKYMCBA-UHFFFAOYSA-N |
| TotalMolweight | 252.337 |
| Molweight | 252.337 |
| MonoisotopicMass | 252.093248 |
| CLogP | 1.0848 |
| CLogS | -2.116 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 191.64 |
| Relative PSA | 0.22746 |
| PolarSurfaceArea | 57.79 |
| Druglikeness | 1.7186 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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