NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2E)-2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
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IUPAC Traditional name
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Synonyms
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(2E)-2-Cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenamide
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Entacapone 3-Methyl Ether
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(E)-3-O-Methyl Entacapone
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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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6.0246596
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H Acceptors
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6
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H Donor
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1
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LogD (pH = 5.5)
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1.6685414
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LogD (pH = 7.4)
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0.4839922
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Log P
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1.780718
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Molar Refractivity
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84.9951 cm3
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Polarizability
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31.02339 Å3
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Polar Surface Area
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119.38 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent