NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[4-cyano-3-(trifluoromethyl)phenyl]-2-oxopropanamide
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IUPAC Traditional name
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N-[4-cyano-3-(trifluoromethyl)phenyl]-2-oxopropanamide
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Synonyms
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N-(4-Cyano-3-trifluoromethyl-phenyl]-2-oxo-propionamide
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N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-oxopropanamide
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CAS 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
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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11.469413
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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2.2341201
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LogD (pH = 7.4)
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2.2340853
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Log P
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2.2341206
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Molar Refractivity
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57.9623 cm3
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Polarizability
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20.291908 Å3
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Polar Surface Area
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69.96 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent