General
Preferred name
PARAOXON
Synonyms
NSC-404110 ()
E-600 ()
Diethyl p-nitrophenyl phosphate ()
Parathion oxygen analog ()
Phosphacol ()
Miotisal ()
P&D ID
PD071962
CAS
311-45-5
Tags
available
drug
covalent binder
Drug indication
Discovery agent
Drug Status
experimental
approved
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
External IDs
63
Properties
(calculated by RDKit )
Molecular Weight
275.06
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
7
Ring Count
1
Aromatic Ring Count
1
cLogP
3.15
TPSA
87.9
Fraction CSP3
0.4
Chiral centers
0.0
Largest ring
6.0
QED
0.43
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data