10,10-difluoro TXA2

Ligand id: 6069

Name: 10,10-difluoro TXA2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 66.76
Molecular weight 386.23
XLogP 5.1
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(Z)-7-[(1S,3R,4R,5R)-7,7-difluoro-3-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
Database Links
CAS Registry No. 121573-36-2 (source: SciFinder)
PubChem CID 73755171
Search Google for chemical match using the InChIKey CIYZUODQUHAGKZ-SCVXEUJASA-N
Search Google for chemicals with the same backbone CIYZUODQUHAGKZ
Search UniChem for chemical match using the InChIKey CIYZUODQUHAGKZ-SCVXEUJASA-N
Search UniChem for chemicals with the same backbone CIYZUODQUHAGKZ