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
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
1
Organisms
7
Compound Sets
4
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
NPC Screening Collection
The Spectrum Collection
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