NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-(3,5-dimethyl-4-{9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl}-1H-pyrazol-1-yl)ethan-1-ol
|
|
|
IUPAC Traditional name
|
2-(3,5-dimethyl-4-{9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl}pyrazol-1-yl)ethanol
|
|
|
Synonyms
|
2-[3,5-dimethyl-4-(9-oxa-2-azaspiro[5.5]undec-2-ylmethyl)-1H-pyrazol-1-yl]ethanol
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
15.400229
|
H Acceptors
|
4
|
H Donor
|
1
|
LogD (pH = 5.5)
|
-2.5055678
|
LogD (pH = 7.4)
|
-0.9751759
|
Log P
|
0.7541556
|
Molar Refractivity
|
100.0986 cm3
|
Polarizability
|
34.057056 Å3
|
Polar Surface Area
|
50.52 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
1
|
Log P
|
0.92
|
LOG S
|
-1.22
|
Polar Surface Area
|
50.52 Å2
|
Rotatable Bonds
|
4
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent