General
Preferred name
Benzene Hexacarboxylic Acid
Synonyms
Benzenehexacarboxylic Acid ()
MELLITIC ACID ()
P&D ID
PD008504
CAS
517-60-2
Tags
drug candidate
natural product
available
Drug Status
experimental
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
1
Compound Sets
1
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
341.99
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
6
Rotatable Bonds
6
Ring Count
1
Aromatic Ring Count
1
cLogP
-0.12
TPSA
223.8
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
