General
Preferred name
BORNYL ACETATE
Synonyms
Isobornyl acetate ()
P&D ID
PD001120
CAS
76-49-3
5655-61-8
92618-89-8
15313-72-1
125-12-2
Tags
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
2
NPC Screening Collection
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
196.15
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
0
cLogP
2.76
TPSA
26.3
Fraction CSP3
0.92
Chiral centers
3.0
Largest ring
5.0
QED
0.6
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
