2-Methoxy-1-naphthaldehyde
Inhibitor information
- CovInDB Inhibitor
- CI000062
- Name
- 2-Methoxy-1-naphthaldehyde
- Molecular Formula
- C12H10O2
- Molecular Weight
- 186.21 g/mol
- Structure
-
- IUPAC Name
- 2-methoxynaphthalene-1-carbaldehyde
- InChI
- InChI=1S/C12H10O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-8H,1H3
- InChI Key
- YIQGLTKAOHRZOL-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc2ccccc2c1C=O
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
186.21 g/mol
Computed by RDKit
- logP
-
2.89
Computed by ALOGPS
- logS
-
-3.56
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
-
2
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 |
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