1-(4-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
Formula:C19H22N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium is a drug-like molecule.
| MolName | 1-(4-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium |
| MolecularFormula | C19H22N2O2ClS |
| Smiles | O=S(c(cc1)ccc1Cl)(N1CC[NH+](C/C=C/c2ccccc2)CC1)=O |
| InChI | InChI=1S/C19H21ClN2O2S/c20-18-8-10-19(11-9-18)25(23,24)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2/p+1 |
| InChIK | NRMPKYKDLBLXKC-UHFFFAOYSA-O |
| TotalMolweight | 377.915 |
| Molweight | 377.915 |
| MonoisotopicMass | 377.10905 |
| CLogP | 1.4874 |
| CLogS | -2.9 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 293.46 |
| Relative PSA | 0.16943 |
| PolarSurfaceArea | 50.2 |
| Druglikeness | 2.0394 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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