(4-propylphenyl)prop-2-enoate
Inhibitor information
- CovInDB Inhibitor
- CI002634
- Name
- (4-propylphenyl)prop-2-enoate
- Molecular Formula
- C12H14O2
- Molecular Weight
- 190.1 g/mol
- Structure
-
- IUPAC Name
- (4-propylphenyl)prop-2-enoate
- InChI
- InChI=1S/C12H14O2/c1-3-5-10-6-8-11(9-7-10)14-12(13)4-2/h4,6-9H,2-3,5H2,1H3
- InChI Key
- UCAXSSLSIVOWFR-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Oc1ccc(CCC)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
190.1 g/mol
Computed by RDKit
- logP
-
3.44
Computed by ALOGPS
- logS
-
-3.99
Computed by ALOGPS
- Heavy Atom Count
-
14
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
-
4
Computed by RDKit
- Topological Polar Surface Area
-
26.3 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 |
|---|
Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.