vinylsulfonylbenzene
Inhibitor information
- CovInDB Inhibitor
- CI005019
- Name
- vinylsulfonylbenzene
- Molecular Formula
- C8H8O2S
- Molecular Weight
- 168.0245005 g/mol
- Structure
-
- IUPAC Name
- vinylsulfonylbenzene
- InChI
- InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2
- InChI Key
- UJTPZISIAWDGFF-UHFFFAOYSA-N
- Canonical SMILES
- C=CS(=O)(=O)c1ccccc1
- Cocrystal structures
- 3BLU
Calculated Properties
- Molecular Weight
-
168.0245005 g/mol
Computed by RDKit
- logP
-
1.442
Computed by ALOGPS
- logS
-
-1.893
Computed by ALOGPS
- Heavy Atom Count
-
11
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
2
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
2
Computed by RDKit
- Topological Polar Surface Area
-
34.14 Å2
Computed by RDKit
3D Structure
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
|---|