NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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methyl 1-(4-tert-butylphenyl)-4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxylate
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IUPAC Traditional name
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methyl 1-(4-tert-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
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Synonyms
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Methyl 1-[4-(tert-butyl)phenyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridazinecarboxylate
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MDL 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
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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4.5500855
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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2.2268257
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LogD (pH = 7.4)
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0.45374104
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Log P
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3.2217903
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Molar Refractivity
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82.309 cm3
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Polarizability
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31.02389 Å3
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Polar Surface Area
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79.2 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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PATENTS
PATENTS
PubChem Patent
Google Patent