NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2E)-2-cyano-3-(1-phenyl-1H-indol-3-yl)prop-2-enoic acid
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IUPAC Traditional name
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(2E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid
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Synonyms
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2-Cyano-3-(1-phenyl-1H-indol-3-yl)-2-propenoic Acid
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UK 5099
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PF-06340678
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UK-5099
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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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3.0414708
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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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1.422633
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LogD (pH = 7.4)
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0.25920823
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Log P
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3.8574
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Molar Refractivity
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94.1936 cm3
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Polarizability
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33.39272 Å3
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Polar Surface Area
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66.02 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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DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent