General
Preferred name
BUTANONE
Synonyms
METHYL ETHYL KETONE ()
Butan-2-One ()
P&D ID
PD160312
CAS
135311-02-3
78-93-3
Tags
available
natural product
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
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
72.06
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
0
Aromatic Ring Count
0
cLogP
0.99
TPSA
17.07
Fraction CSP3
0.75
Chiral centers
0.0
Largest ring
0.0
QED
0.45
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
