(E)-2-(4-chlorophenyl)-N-phenylethenesulfinamide
Formula:C14H12NOClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-chlorophenyl)-N-phenylethenesulfinamide is a drug-like molecule.
| MolName | (E)-2-(4-chlorophenyl)-N-phenylethenesulfinamide |
| MolecularFormula | C14H12NOClS |
| Smiles | O=S(/C=C/c(cc1)ccc1Cl)Nc1ccccc1 |
| InChI | InChI=1S/C14H14ClNOS/c15-13-8-6-12(7-9-13)10-11-18(17)16-14-4-2-1-3-5-14/h1-11H,18H2,(H,16,17) |
| InChIK | XREJPFVXWBELOK-UHFFFAOYSA-N |
| TotalMolweight | 277.774 |
| Molweight | 277.774 |
| MonoisotopicMass | 277.032811 |
| CLogP | 3.2336 |
| CLogS | -5.515 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 209.12 |
| Relative PSA | 0.16345 |
| PolarSurfaceArea | 48.31 |
| Druglikeness | -0.60029 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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