benzene-1,2-diol
Inhibitor information
- CovInDB Inhibitor
- CI005252
- Name
- benzene-1,2-diol
- Molecular Formula
- C6H6O2
- Molecular Weight
- 110.0367794 g/mol
- Structure
-
- IUPAC Name
- benzene-1,2-diol
- InChI
- InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
- InChI Key
- YCIMNLLNPGFGHC-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccccc1O
- Cocrystal structures
- 5G4H
Calculated Properties
- Molecular Weight
-
110.0367794 g/mol
Computed by RDKit
- logP
-
1.018
Computed by ALOGPS
- logS
-
0.369
Computed by ALOGPS
- Heavy Atom Count
-
8
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
2
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
0
Computed by RDKit
- Topological Polar Surface Area
-
40.46 Å2
Computed by RDKit
3D Structure
targets
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bioactivity
| Object | Object Type | Activity Type | Relation | Value | Unit | Assay | Reference |
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reactivity
| Activity Type | Relation | Value | Unit | Assay | Reference |
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Similar compounds in Virtual Screening library
No similar compounds in the virtual screening library found for this inhibitor.
Similar Natural compounds
No similar natural compounds found for this inhibitor.