General
Preferred name
Amyl Nitrite
Synonyms
NSC-7903 ()
Nitrous acid, 3-methylbutyl ester ()
Nitramyl ()
Amyl nitrosum ()
Amyl nitrite (mixed isomers) ()
Nitrous acid, isopentyl ester ()
P&D ID
PD057321
Tags
drug candidate
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
1
ChEMBL Drugs
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
234.16
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
8
Ring Count
0
Aromatic Ring Count
0
cLogP
3.46
TPSA
77.32
Fraction CSP3
1.0
Chiral centers
1.0
Largest ring
0.0
QED
0.37
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
