N-acetyl-4-benzoquinoneimine

Ligand id: 6299

Name: N-acetyl-4-benzoquinoneimine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 46.5
Molecular weight 149.05
XLogP 0.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(4-oxo-1-cyclohexa-2,5-dienylidene)acetamide
Synonyms
N-acetyl-p-benzo-quinoneimine | napqi
Database Links
CAS Registry No. 50700-49-7 (source: SciFinder)
ChEMBL Ligand CHEMBL33232
PubChem CID 39763
Search Google for chemical match using the InChIKey URNSECGXFRDEDC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone URNSECGXFRDEDC
Search UniChem for chemical match using the InChIKey URNSECGXFRDEDC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone URNSECGXFRDEDC
Wikipedia NAPQI