General
Preferred name
N-NITROSODIETHYLAMINE
Synonyms
Diethylnitrosamine ()
DEN ()
N-Nitroso-diethylamine, NDEA, diethylnitrosamine, DEN ()
P&D ID
PD040878
CAS
55-18-5
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 ]]
Compound Sets
3
DrugMatrix
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
102.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
1.01
TPSA
32.67
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.39
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Cell Cycle/DNA Damage
Target
DNA/RNA Synthesis
Source data
