(E)-N-(1-adamantyl)-2-phenylethenesulfonamide
Formula:C18H23NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1-adamantyl)-2-phenylethenesulfonamide is a drug-like molecule.
| MolName | (E)-N-(1-adamantyl)-2-phenylethenesulfonamide |
| MolecularFormula | C18H23NO2S |
| Smiles | O=S(/C=C/c1ccccc1)(NC1(CC(C2)C3)CC3CC2C1)=O |
| InChI | InChI=1S/C18H23NO2S/c20-22(21,7-6-14-4-2-1-3-5-14)19-18-11-15-8-16(12-18)10-17(9-15)13-18/h1-7,15-17,19H,8-13H2 |
| InChIK | XOPNXCMEDPFZAW-UHFFFAOYSA-N |
| TotalMolweight | 317.452 |
| Molweight | 317.452 |
| MonoisotopicMass | 317.144949 |
| CLogP | 3.3861 |
| CLogS | -4.934 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 229.77 |
| Relative PSA | 0.17426 |
| PolarSurfaceArea | 54.55 |
| Druglikeness | 0.77218 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-(1-adamantyl)-2-phenylethenesulfonamide | 2 - (E)-N-(1-adamantyl)-2-phenylethenesulfonamide
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