General
Preferred name
CAPTAN
Synonyms
N trichloromethylthio 4 cyclohexane 1,2 dicarboximid ()
Captan-d6 ()
P&D ID
PD000669
CAS
120528-25-8
133-06-2
1330190-00-5
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
7
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
298.93
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
0
cLogP
2.91
TPSA
37.38
Fraction CSP3
0.56
Chiral centers
2.0
Largest ring
6.0
QED
0.32
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
Bacterial
Source data