General
Preferred name
Sulfogaiacol
Synonyms
POTASSIUM GUAIACOLSULFONATE ()
guaiacolsulfonate ()
GUAIACOLSULFONIC ACID ()
Potassium guaiacolsulfonate hemihydrate ()
Potassium Hydroxymethoxybenzenesulfonate, Sulfogaiacol ()
Guaiacolsulfonate potassium ()
Potassium sulfoguaiacolate ()
Potassium guaiacolsulphonate ()
Sulfogaiacol hemihydrate ()
P&D ID
PD051706
CAS
1321-14-8
7134-11-4
78247-49-1
Tags
available
drug candidate
Drug indication
Expectorant
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 ]]
Compound Sets
5
ChEMBL Drugs
DrugBank
DrugMatrix
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
40
Properties
(calculated by RDKit )
Molecular Weight
204.01
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
0.65
TPSA
83.83
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
