NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
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IUPAC Traditional name
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Synonyms
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Nitecapone
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3-[(3,4-Dihydroxy-5-nitrophenyl)methylene]-2,4-pentanedione
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OR 462
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CAS Number
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PubChem SID
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PubChem CID
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Chemspider ID
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Wikipedia Title
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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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5.8001647
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H Acceptors
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6
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H Donor
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2
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LogD (pH = 5.5)
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1.5412828
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LogD (pH = 7.4)
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0.2535732
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Log P
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1.715434
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Molar Refractivity
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67.5229 cm3
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Polarizability
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24.565075 Å3
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Polar Surface Area
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120.42 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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DETAILS
DETAILS
Wikipedia
TRC
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Biggs, S., et al.: Eur. J. Pharmacol., 299, 83 (1996)
- • Mannisto, P., et al.: Pharmacol. Rev., 51(1996)
- • 593 (1996)
- • Fisher, A., et al.: Neuroscience, 95(1996)
- • 97 (1996)
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PATENTS
PATENTS
PubChem Patent
Google Patent