2-methoxy-4-[(E)-2-nitrovinyl]phenol
Inhibitor information
- CovInDB Inhibitor
- CI006752
- Name
- 2-methoxy-4-[(E)-2-nitrovinyl]phenol
- Molecular Formula
- C9H9NO4
- Molecular Weight
- 195.0531578 g/mol
- Structure
-
- IUPAC Name
- 2-methoxy-4-[(E)-2-nitrovinyl]phenol
- InChI
- InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+
- InChI Key
- XVXCSPJSXIUNQJ-SNAWJCMRSA-N
- Canonical SMILES
- COc1cc(/C=C/[N+](=O)[O-])ccc1O
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
195.0531578 g/mol
Computed by RDKit
- logP
-
1.386
Computed by ALOGPS
- logS
-
-1.595
Computed by ALOGPS
- Heavy Atom Count
-
14
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
72.6 Å2
Computed by RDKit
3D Structure
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
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