Salicylaldehyde
Inhibitor information
- CovInDB Inhibitor
- CI000019
- Name
- Salicylaldehyde
- Molecular Formula
- C7H6O2
- Molecular Weight
- 122.12 g/mol
- Structure
-
- IUPAC Name
- 2-hydroxybenzaldehyde
- InChI
- InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
- InChI Key
- SMQUZDBALVYZAC-UHFFFAOYSA-N
- Canonical SMILES
- O=Cc1ccccc1O
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
122.12 g/mol
Computed by RDKit
- logP
-
1.22
Computed by ALOGPS
- logS
-
-1.07
Computed by ALOGPS
- Heavy Atom Count
-
9
Computed by RDKit
- Ring Count
-
1
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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