[(E)-3-phenylprop-2-enyl] 4-piperidin-1-ylsulfonylbenzoate
Formula:C21H23NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-3-phenylprop-2-enyl] 4-piperidin-1-ylsulfonylbenzoate is a drug-like molecule.
| MolName | [(E)-3-phenylprop-2-enyl] 4-piperidin-1-ylsulfonylbenzoate |
| MolecularFormula | C21H23NO4S |
| Smiles | O=C(c(cc1)ccc1S(N1CCCCC1)(=O)=O)OC/C=C/c1ccccc1 |
| InChI | InChI=1S/C21H23NO4S/c23-21(26-17-7-10-18-8-3-1-4-9-18)19-11-13-20(14-12-19)27(24,25)22-15-5-2-6-16-22/h1,3-4,7-14H,2,5-6,15-17H2 |
| InChIK | DGSWMSCDOYLVBG-UHFFFAOYSA-N |
| TotalMolweight | 385.483 |
| Molweight | 385.483 |
| MonoisotopicMass | 385.134779 |
| CLogP | 3.9587 |
| CLogS | -3.692 |
| H Acceptors | 5 |
| TotalSurfaceArea | 295.21 |
| Relative PSA | 0.18688 |
| PolarSurfaceArea | 72.06 |
| Druglikeness | 0.76424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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