NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-phenyl-2-{[(1E)-4,4,4-trifluoro-3-oxobut-1-en-1-yl]amino}propanoic acid
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IUPAC Traditional name
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3-phenyl-2-{[(1E)-4,4,4-trifluoro-3-oxobut-1-en-1-yl]amino}propanoic acid
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Synonyms
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3-Phenyl-2-(4,4,4-trifluoro-3-oxo-but-1-enylamino)-propionic acid
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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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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4.1412315
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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1.5183803
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LogD (pH = 7.4)
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-0.17621623
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Log P
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2.9029624
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Molar Refractivity
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65.46 cm3
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Polarizability
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24.134443 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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true
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PROPERTIES
PROPERTIES
Physical Property
Product Information
Bioassay(PubChem)
Hydrophobicity(logP)
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2.111
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Show
data source
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Purity
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95%
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent