1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium
Formula:C17H21N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium is a drug-like molecule.
| MolName | 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium |
| MolecularFormula | C17H21N2O2S2 |
| Smiles | O=S(c1cccs1)(N1CC[NH+](C/C=C/c2ccccc2)CC1)=O |
| InChI | InChI=1S/C17H20N2O2S2/c20-23(21,17-9-5-15-22-17)19-13-11-18(12-14-19)10-4-8-16-6-2-1-3-7-16/h1-9,15H,10-14H2/p+1 |
| InChIK | FQEAUZGLCDVOOY-UHFFFAOYSA-O |
| TotalMolweight | 349.498 |
| Molweight | 349.498 |
| MonoisotopicMass | 349.104443 |
| CLogP | 0.8705 |
| CLogS | -2.081 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.98 |
| Relative PSA | 0.25579 |
| PolarSurfaceArea | 78.44 |
| Druglikeness | 1.1619 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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