NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
ethyl (1R,4aS,8aS)-4a-hydroxy-1-(4-methoxyphenyl)-decahydroisoquinoline-2-carboxylate
|
|
|
IUPAC Traditional name
|
ethyl (1R,4aS,8aS)-4a-hydroxy-1-(4-methoxyphenyl)-octahydroisoquinoline-2-carboxylate
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
14.449513
|
H Acceptors
|
3
|
H Donor
|
1
|
LogD (pH = 5.5)
|
2.6010568
|
LogD (pH = 7.4)
|
2.6010568
|
Log P
|
2.6010568
|
Molar Refractivity
|
91.4792 cm3
|
Polarizability
|
36.01138 Å3
|
Polar Surface Area
|
59.0 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Classification
|
Derivatives & analogs of Natural Compounds
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent