NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[(3-butanamido-2,4,6-triiodophenyl)methyl]butanoic acid
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IUPAC Traditional name
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Synonyms
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2-[[2,4,6-triiodo-3-(1-oxobutylamino)phenyl]methyl]butanoic acid
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Tyropanoic acid
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CAS Number
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PubChem SID
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PubChem CID
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ATC CODE
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CHEMBL
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Wikipedia Title
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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2.5167134
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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3.337704
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LogD (pH = 7.4)
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2.7021012
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Log P
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6.212766
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Molar Refractivity
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115.3205 cm3
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Polarizability
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44.653458 Å3
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Polar Surface Area
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66.4 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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false
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
DETAILS
DETAILS
Wikipedia
PATENTS
PATENTS
PubChem Patent
Google Patent