1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate
Formula:C14H16NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate is a drug-like molecule.
| MolName | 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate |
| MolecularFormula | C14H16NO4S |
| Smiles | [O-]C(C(CC1)CCN1S(/C=C/c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C14H17NO4S/c16-14(17)13-6-9-15(10-7-13)20(18,19)11-8-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2,(H,16,17)/p-1 |
| InChIK | LAFAILDKFOBJFF-UHFFFAOYSA-M |
| TotalMolweight | 294.35 |
| Molweight | 294.35 |
| MonoisotopicMass | 294.080004 |
| CLogP | -0.6907 |
| CLogS | -2.776 |
| H Acceptors | 5 |
| TotalSurfaceArea | 217.96 |
| Relative PSA | 0.27276 |
| PolarSurfaceArea | 85.89 |
| Druglikeness | 3.257 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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