2-Hydroxy-1-naphthaldehyde
Inhibitor information
- CovInDB Inhibitor
- CI000035
- Name
- 2-Hydroxy-1-naphthaldehyde
- Molecular Formula
- C11H8O2
- Molecular Weight
- 172.18 g/mol
- Structure
-
- IUPAC Name
- 2-hydroxynaphthalene-1-carbaldehyde
- InChI
- InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
- InChI Key
- NTCCNERMXRIPTR-UHFFFAOYSA-N
- Canonical SMILES
- O=Cc1c(O)ccc2ccccc12
- Cocrystal structures
- 5U16
Calculated Properties
- Molecular Weight
-
172.18 g/mol
Computed by RDKit
- logP
-
2.54
Computed by ALOGPS
- logS
-
-2.93
Computed by ALOGPS
- Heavy Atom Count
-
13
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
2
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
1
Computed by RDKit
- Topological Polar Surface Area
-
37.3 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 |
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