NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-(5-fluoro-2-methyl-1-{[4-(methylsulfanyl)phenyl]methylidene}-1H-inden-3-yl)acetic acid
|
|
|
IUPAC Traditional name
|
(6-fluoro-2-methyl-3-{[4-(methylsulfanyl)phenyl]methylidene}inden-1-yl)acetic acid
|
|
|
Synonyms
|
3-Acetyl-5-fluoro-2-methyl-1-[4-(methylsulphanyl)benzylidene]-1H-indene
|
{5-Fluoro-2-methyl-1-[4-(methylthio)benzylidene]-1H-inden-3-yl}acetic acid
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
4.1580195
|
H Acceptors
|
2
|
H Donor
|
1
|
LogD (pH = 5.5)
|
3.4624636
|
LogD (pH = 7.4)
|
1.7593806
|
Log P
|
4.820957
|
Molar Refractivity
|
97.9561 cm3
|
Polarizability
|
36.855457 Å3
|
Polar Surface Area
|
37.3 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
|
Harmful/Irritant
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent