General
Preferred name
p-NITROPHENYLPHOSPHATE
Synonyms
4-Nitrophenyl Phosphate ()
PNPP ()
p-nitrophenyl phosphonate ()
4-Nitrophenyl Dihydrogen Phosphate ()
4-Nitrophenyl Phosphate (sodium salt hydrate) ()
P&D ID
PD006874
CAS
4264-83-9
330-13-2
333338-18-4
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
55
Properties
(calculated by RDKit )
Molecular Weight
218.99
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
1.07
TPSA
109.9
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.45
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Dyes
Source data
