General
Preferred name
Heptanoic Acid
Synonyms
HEPTANOATE ()
Heptanoic Acid Anion ()
P&D ID
PD007548
CAS
68937-74-6
111-14-8
7563-37-3
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Drug Status
experimental
investigational
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
44
Properties
(calculated by RDKit )
Molecular Weight
130.1
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
2.04
TPSA
37.3
Fraction CSP3
0.86
Chiral centers
0.0
Largest ring
0.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
