NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
4-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-oxazepan-6-ol
|
|
|
IUPAC Traditional name
|
4-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-oxazepan-6-ol
|
|
|
Synonyms
|
4-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-oxazepan-6-ol
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
14.097121
|
H Acceptors
|
5
|
H Donor
|
1
|
LogD (pH = 5.5)
|
0.99579906
|
LogD (pH = 7.4)
|
1.8519964
|
Log P
|
1.8877047
|
Molar Refractivity
|
89.7967 cm3
|
Polarizability
|
30.808474 Å3
|
Polar Surface Area
|
71.62 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
6
|
H Donor
|
1
|
Log P
|
2.76
|
LOG S
|
-2.81
|
Polar Surface Area
|
71.62 Å2
|
Rotatable Bonds
|
3
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent