Phenyl-p-benzoquinone
Inhibitor information
- CovInDB Inhibitor
- CI000027
- Name
- Phenyl-p-benzoquinone
- Molecular Formula
- C12H8O2
- Molecular Weight
- 184.19 g/mol
- Structure
-
- IUPAC Name
- 2-phenyl-1,4-benzoquinone
- InChI
- InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H
- InChI Key
- RLQZIECDMISZHS-UHFFFAOYSA-N
- Canonical SMILES
- O=C1C=CC(=O)C(c2ccccc2)=C1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
184.19 g/mol
Computed by RDKit
- logP
-
2.28
Computed by ALOGPS
- logS
-
-3.06
Computed by ALOGPS
- Heavy Atom Count
-
14
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
2
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
1
Computed by RDKit
- Topological Polar Surface Area
-
34.14 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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