General
Preferred name
DIETHYL PHTHALATE
Synonyms
Ethyl phthalate ethyl glycollate ()
O-phthalic acid, diethyl ester ()
NSC-8905 ()
P&D ID
PD013584
CAS
84-66-2
Tags
drug candidate
natural product
available
Drug indication
Pharmaceutic Aid (plasticizer)
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
2
ChEMBL Drugs
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
222.09
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
2.04
TPSA
52.6
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
6.0
QED
0.73
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
