General
Preferred name
JC-1
Synonyms
P&D ID
PD019427
CAS
3520-43-2
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
2
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
650.0
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
3
cLogP
4.81
TPSA
15.29
Fraction CSP3
0.32
Chiral centers
0.0
Largest ring
6.0
QED
0.28
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data