General
Preferred name
Chloral betaine
Synonyms
5107 ()
Cloral betaine ()
P&D ID
PD008828
CAS
2218-68-0
Tags
natural product
drug
Drug Status
illicit
approved
withdrawn
Max Phase
Phase 4
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 Approved Drugs
ChEMBL Drugs
DrugBank
DrugMatrix
Withdrawn 2.0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
281.0
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.89
TPSA
80.59
Fraction CSP3
0.86
Chiral centers
0.0
Largest ring
0.0
QED
0.39
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
ATC
N
Source data
