NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-hydroxy-1-{[(1E)-3-(1H-imidazol-1-yl)-3-oxoprop-1-en-1-yl]amino}butan-2-one
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IUPAC Traditional name
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4-hydroxy-1-{[(1E)-3-(imidazol-1-yl)-3-oxoprop-1-en-1-yl]amino}butan-2-one
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Synonyms
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4-Hydroxy-1-[[3-(1H-imidazol-1-yl)-3-oxo-1-propen-1-yl]amino]-2-butanone
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1-[3-[(4-Hydroxy-2-oxobutyl)amino]-1-oxo-2-propenyl]-1H-imidazole
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1-(4-Aza-8-hydroxy-6-oxo)oct-2-en-1-oylimidazole(mixture E/Z)
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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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15.615469
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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-1.6375971
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LogD (pH = 7.4)
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-1.636772
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Log P
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-1.6367615
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Molar Refractivity
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57.3779 cm3
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Polarizability
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21.742456 Å3
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Polar Surface Area
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84.22 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