compound 4rr [PMID: 1656041]

Ligand id: 2967

Name: compound 4rr [PMID: 1656041]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 55.76
Molecular weight 380.18
XLogP 5.15
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4R,6S)-6-[[2-[chloro(cyclohexyl)methyl]-4,6-dimethylphenoxy]methyl]-4-hydroxyoxan-2-one
Database Links
PubChem CID 91623350
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Search UniChem for chemical match using the InChIKey JEIUHLQCZMJKSE-LIHHCBPRSA-N
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