Veratraldehyde
Inhibitor information
- CovInDB Inhibitor
- CI000022
- Name
- Veratraldehyde
- Molecular Formula
- C9H10O3
- Molecular Weight
- 166.17
- Structure
-
- IUPAC Name
- 3,4-dimethoxybenzaldehyde
- InChI
- InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
- InChI Key
- WJUFSDZVCOTFON-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(C=O)cc1OC
Calculated Properties
- Molecular Weight
-
166.17
Computed by RDKit
- logP
-
1.64
Computed by ALOGPS
- logS
-
-2.08
Computed by ALOGPS
- Heavy Atom Count
-
12
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
35.53 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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