1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium
Formula:C19H23N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium is a drug-like molecule.
| MolName | 1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium |
| MolecularFormula | C19H23N2O2S |
| Smiles | O=S(/C=C/c1ccccc1)(N1CC[NH+](Cc2ccccc2)CC1)=O |
| InChI | InChI=1S/C19H22N2O2S/c22-24(23,16-11-18-7-3-1-4-8-18)21-14-12-20(13-15-21)17-19-9-5-2-6-10-19/h1-11,16H,12-15,17H2/p+1 |
| InChIK | MKCLLEUTXFVXRL-UHFFFAOYSA-O |
| TotalMolweight | 343.47 |
| Molweight | 343.47 |
| MonoisotopicMass | 343.148023 |
| CLogP | 0.6461 |
| CLogS | -3.077 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.04 |
| Relative PSA | 0.17882 |
| PolarSurfaceArea | 50.2 |
| Druglikeness | 0.52309 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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