nitrooleic acid

Ligand id: 6296

Name: nitrooleic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 16
Topological polar surface area 80.44
Molecular weight 327.24
XLogP 7.02
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-9-nitrooctadec-9-enoic acid
Synonyms
9-nitrooleate
Database Links
CAS Registry No. 875685-44-2 (source: SciFinder)
ChEMBL Ligand CHEMBL550762
PubChem CID 11645581
Search Google for chemical match using the InChIKey CQOAKBVRRVHWKV-SAPNQHFASA-N
Search Google for chemicals with the same backbone CQOAKBVRRVHWKV
Search UniChem for chemical match using the InChIKey CQOAKBVRRVHWKV-SAPNQHFASA-N
Search UniChem for chemicals with the same backbone CQOAKBVRRVHWKV