1-(benzenesulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
Formula:C19H23N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(benzenesulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium is a drug-like molecule.
| MolName | 1-(benzenesulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium |
| MolecularFormula | C19H23N2O2S |
| Smiles | O=S(c1ccccc1)(N1CC[NH+](C/C=C/c2ccccc2)CC1)=O |
| InChI | InChI=1S/C19H22N2O2S/c22-24(23,19-11-5-2-6-12-19)21-16-14-20(15-17-21)13-7-10-18-8-3-1-4-9-18/h1-12H,13-17H2/p+1 |
| InChIK | YLEXJEPWVDBYLA-UHFFFAOYSA-O |
| TotalMolweight | 343.47 |
| Molweight | 343.47 |
| MonoisotopicMass | 343.148023 |
| CLogP | 0.8814 |
| CLogS | -2.164 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.04 |
| Relative PSA | 0.17882 |
| PolarSurfaceArea | 50.2 |
| Druglikeness | -6.4093 |
| 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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