(E)-2-(benzenesulfonyl)-3-(6-phenoxypyridin-3-yl)prop-2-enenitrile
Formula:C20H14N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(benzenesulfonyl)-3-(6-phenoxypyridin-3-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(benzenesulfonyl)-3-(6-phenoxypyridin-3-yl)prop-2-enenitrile |
| MolecularFormula | C20H14N2O3S |
| Smiles | N#C/C(/S(c1ccccc1)(=O)=O)=C\c(cc1)cnc1Oc1ccccc1 |
| InChI | InChI=1S/C20H14N2O3S/c21-14-19(26(23,24)18-9-5-2-6-10-18)13-16-11-12-20(22-15-16)25-17-7-3-1-4-8-17/h1-13,15H |
| InChIK | XCFMKJPREVMSNL-UHFFFAOYSA-N |
| TotalMolweight | 362.408 |
| Molweight | 362.408 |
| MonoisotopicMass | 362.072513 |
| CLogP | 3.1556 |
| CLogS | -6.27 |
| H Acceptors | 5 |
| TotalSurfaceArea | 276.54 |
| Relative PSA | 0.22821 |
| PolarSurfaceArea | 88.43 |
| Druglikeness | -12.822 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-(benzenesulfonyl)-3-(6-phenoxypyridin-3-yl)prop-2-enenitrile | 2 - (E)-2-(benzenesulfonyl)-3-(6-phenoxypyridin-3-yl)prop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off