Acrylophenone
Inhibitor information
- CovInDB Inhibitor
- CI000036
- Name
- Acrylophenone
- Molecular Formula
- C9H8O
- Molecular Weight
- 132.16 g/mol
- Structure
-
- IUPAC Name
- 1-phenylprop-2-en-1-one
- InChI
- InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h2-7H,1H2
- InChI Key
- KUIZKZHDMPERHR-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)c1ccccc1
- Cocrystal structures
- 3SZB 4B55
Calculated Properties
- Molecular Weight
-
132.16 g/mol
Computed by RDKit
- logP
-
1.82
Computed by ALOGPS
- logS
-
-2.36
Computed by ALOGPS
- Heavy Atom Count
-
10
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
1
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
2
Computed by RDKit
- Topological Polar Surface Area
-
17.07 Å2
Computed by RDKit
3D Structure
Show Warhead
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
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