NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-[(2Z)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-chloroprop-2-enamido]benzoic acid
|
|
|
IUPAC Traditional name
|
2-[(2Z)-3-[4-(benzyloxy)-3-methoxyphenyl]-2-chloroprop-2-enamido]benzoic acid
|
|
|
Synonyms
|
2-[3-(4-Benzyloxy-3-methoxy-phenyl)-2-chloro-acryloylamino]-benzoic acid
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
3.549125
|
H Acceptors
|
5
|
H Donor
|
2
|
LogD (pH = 5.5)
|
3.731654
|
LogD (pH = 7.4)
|
2.3159287
|
Log P
|
5.676054
|
Molar Refractivity
|
120.9237 cm3
|
Polarizability
|
45.275887 Å3
|
Polar Surface Area
|
84.86 Å2
|
Rotatable Bonds
|
8
|
Lipinski's Rule of Five
|
false
|
PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
|
IRRITANT
|
Show
data source
|
|
MSDS Link
|
|
TSCA Listed
|
false
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent