NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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IUPAC Traditional name
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6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
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Synonyms
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6,7-Dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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3.7103312
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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0.9980532
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LogD (pH = 7.4)
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-0.5143942
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Log P
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2.7868936
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Molar Refractivity
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104.2934 cm3
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Polarizability
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39.844776 Å3
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Polar Surface Area
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76.07 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
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IRRITANT
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Show
data source
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MSDS Link
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PATENTS
PATENTS
PubChem Patent
Google Patent