NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-{[(1Z)-3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl]amino}benzoic acid
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IUPAC Traditional name
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4-{[(1Z)-3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl]amino}benzoic acid
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Log P
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1.8338974
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Molar Refractivity
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82.8845 cm3
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Polarizability
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29.970688 Å3
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Polar Surface Area
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103.7 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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Acid pKa
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3.5677993
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H Acceptors
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6
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H Donor
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3
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LogD (pH = 5.5)
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-0.9534548
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LogD (pH = 7.4)
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-4.1814733
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Classification
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Rare Derivatives of Natural Compounds
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent