2-Methoxybenzaldehyde
Inhibitor information
- CovInDB Inhibitor
- CI000025
- Name
- 2-Methoxybenzaldehyde
- Molecular Formula
- C8H8O2
- Molecular Weight
- 136.15
- Structure
-
- IUPAC Name
- 2-methoxybenzaldehyde
- InChI
- InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
- InChI Key
- PKZJLOCLABXVMC-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccccc1C=O
Calculated Properties
- Molecular Weight
-
136.15
Computed by RDKit
- logP
-
1.59
Computed by ALOGPS
- logS
-
-1.78
Computed by ALOGPS
- Heavy Atom Count
-
10
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
-
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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