General
Preferred name
Acid C6
Synonyms
Caproic acid ()
Caproic acid ()
HEXANOATE ()
Hexanoic Acid-d3 ()
Hexanoic Acid-d5 ()
P&D ID
PD099028
CAS
142-62-1
68603-84-9
51109-46-7
67762-36-1
55320-69-9
123167-40-8
Tags
natural product
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
1
Organisms
0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
45
Properties
(calculated by RDKit )
Molecular Weight
116.08
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
1.65
TPSA
37.3
Fraction CSP3
0.83
Chiral centers
0.0
Largest ring
0.0
QED
0.57
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
