(E)-3-(1H-imidazol-5-yl)-2-thiophen-2-ylsulfonylprop-2-enenitrile
Formula:C10H7N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1H-imidazol-5-yl)-2-thiophen-2-ylsulfonylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(1H-imidazol-5-yl)-2-thiophen-2-ylsulfonylprop-2-enenitrile |
| MolecularFormula | C10H7N3O2S2 |
| Smiles | N#C/C(/S(c1cccs1)(=O)=O)=C\c1cnc[nH]1 |
| InChI | InChI=1S/C10H7N3O2S2/c11-5-9(4-8-6-12-7-13-8)17(14,15)10-2-1-3-16-10/h1-4,6-7H,(H,12,13) |
| InChIK | JDBOKVVEGHKETB-UHFFFAOYSA-N |
| TotalMolweight | 265.317 |
| Molweight | 265.317 |
| MonoisotopicMass | 264.997967 |
| CLogP | 0.6128 |
| CLogS | -2.999 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 192.29 |
| Relative PSA | 0.45483 |
| PolarSurfaceArea | 123.23 |
| Druglikeness | -2.6515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(1H-imidazol-5-yl)-2-thiophen-2-ylsulfonylprop-2-enenitrile | 2 - (E)-3-(1H-imidazol-5-yl)-2-thiophen-2-ylsulfonylprop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off