1-Naphthaldehyde
Inhibitor information
- CovInDB Inhibitor
- CI000016
- Name
- 1-Naphthaldehyde
- Molecular Formula
- C11H8O
- Molecular Weight
- 156.18 g/mol
- Structure
-
- IUPAC Name
- naphthalene-1-carbaldehyde
- InChI
- InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
- InChI Key
- SQAINHDHICKHLX-UHFFFAOYSA-N
- Canonical SMILES
- O=Cc1cccc2ccccc12
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
156.18 g/mol
Computed by RDKit
- logP
-
2.96
Computed by ALOGPS
- logS
-
-3.24
Computed by ALOGPS
- Heavy Atom Count
-
12
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
1
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
1
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 |
|---|