N-Phenylacrylamide
Inhibitor information
- CovInDB Inhibitor
- CI000087
- Name
- N-Phenylacrylamide
- Molecular Formula
- C9H9NO
- Molecular Weight
- 147.17 g/mol
- Structure
-
- IUPAC Name
- N-phenylprop-2-enamide
- InChI
- InChI=1S/C9H9NO/c1-2-9(11)10-8-6-4-3-5-7-8/h2-7H,1H2,(H,10,11)
- InChI Key
- BPCNEKWROYSOLT-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1ccccc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
147.17 g/mol
Computed by RDKit
- logP
-
1.67
Computed by ALOGPS
- logS
-
-1.38
Computed by ALOGPS
- Heavy Atom Count
-
11
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
1
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
2
Computed by RDKit
- Topological Polar Surface Area
-
29.1 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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