General
Preferred name
PD018777
Synonyms
9-oxo-10(E),12(E)-Octadecadienoic Acid ()
P&D ID
PD018777
CAS
54665-32-6
54232-58-5
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
4
Compound Sets
1
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
294.22
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
14
Ring Count
0
Aromatic Ring Count
0
cLogP
5.06
TPSA
54.37
Fraction CSP3
0.67
Chiral centers
0.0
Largest ring
0.0
QED
0.28
QED
0.28
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
