General
Preferred name
PARAQUAT
Synonyms
PARAQUAT DICHLORIDE ()
Paraquat ()
Paraquat (chloride) ()
P&D ID
PD016200
CAS
116047-10-0
4685-14-7
136338-65-3
1910-42-5
Tags
available
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION The chemical structure shown here, and in the table links above, represent paraquat dichloride. The parent molecule has PubChem CID 15939. (GtoPdb)
Compound Sets
9
Cayman Chemical Bioactives
38521
Concise Guide to Pharmacology 2017/18
4552
Concise Guide to Pharmacology 2019/20
4552
Concise Guide to Pharmacology 2021/22
4552
Concise Guide to Pharmacology 2023/24
4552
DrugMAP
DMR8O3X
Guide to Pharmacology
4552
NIH Mechanistic Set
Other bioactive compounds
External IDs
57
Properties
(calculated by RDKit )
Molecular Weight
186.11
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
2
cLogP
1.0
TPSA
7.76
Fraction CSP3
0.17
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data