General
Preferred name
PD002549
Synonyms
4-NONYLPHENOL ()
4-Nonyl-Phenol ()
Nonylphenol ()
4-Nonylphenol-2,3,5,6-d4 ()
P&D ID
PD002549
CAS
104-40-5
25154-52-3
68081-86-7
1173019-62-9
Tags
natural product
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 ]]
Cell lines
1
Organisms
0
Compound Sets
3
Cayman Chemical Bioactives
DrugMatrix
NURSA ligand set
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
220.18
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
8
Ring Count
1
Aromatic Ring Count
1
cLogP
4.69
TPSA
20.23
Fraction CSP3
0.6
Chiral centers
0.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
