General
Preferred name
PD046435
Synonyms
.alpha.-Pyrrolidinohexanophenone (hydrochloride) ()
?-Pyrrolidinohexanophenone (hydrochloride) (CRM) ()
?-Pyrrolidinohexanophenone-d8 (hydrochloride) ()
?-Pyrrolidinohexanophenone-d8 (hydrochloride) (CRM) ()
P&D ID
PD046435
CAS
13415-59-3
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
17
Properties
(calculated by RDKit )
Molecular Weight
245.18
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
1
cLogP
3.52
TPSA
20.31
Fraction CSP3
0.56
Chiral centers
1.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
