General
Preferred name
PD057039
Synonyms
???-Pyrrolidinoisohexanophenone (hydrochloride) ()
?-Pyrrolidinoisohexanophenone-d8 (hydrochloride) ()
P&D ID
PD057039
CAS
2705245-60-7
Tags
available
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
245.18
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
1
cLogP
3.38
TPSA
20.31
Fraction CSP3
0.56
Chiral centers
1.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
