NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-carbamoyl-1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]pyridin-1-ium chloride
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IUPAC Traditional name
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3-carbamoyl-1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]pyridin-1-ium chloride
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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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7.706435
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H Acceptors
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4
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H Donor
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3
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LogD (pH = 5.5)
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-3.064735
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LogD (pH = 7.4)
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-3.2349017
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Log P
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-3.062063
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Molar Refractivity
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72.9984 cm3
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Polarizability
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27.08565 Å3
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Polar Surface Area
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104.5 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Salt Data
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Cl-
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Show
data source
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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