(E)-2-(4-chlorophenyl)sulfonyl-5-phenylpent-2-enenitrile
Formula:C17H14NO2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-chlorophenyl)sulfonyl-5-phenylpent-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-chlorophenyl)sulfonyl-5-phenylpent-2-enenitrile |
| MolecularFormula | C17H14NO2ClS |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C\CCc1ccccc1 |
| InChI | InChI=1S/C17H14ClNO2S/c18-15-9-11-16(12-10-15)22(20,21)17(13-19)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-12H,4,7H2 |
| InChIK | UZDXKLGAPOACSU-UHFFFAOYSA-N |
| TotalMolweight | 331.822 |
| Molweight | 331.822 |
| MonoisotopicMass | 331.043376 |
| CLogP | 3.7954 |
| CLogS | -5.156 |
| H Acceptors | 3 |
| TotalSurfaceArea | 250.96 |
| Relative PSA | 0.16792 |
| PolarSurfaceArea | 66.31 |
| Druglikeness | -5.5378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-(4-chlorophenyl)sulfonyl-5-phenylpent-2-enenitrile | 2 - (E)-2-(4-chlorophenyl)sulfonyl-5-phenylpent-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off