NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2,2-dimethyl-6-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one
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IUPAC Traditional name
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2,2-dimethyl-6-nitro-4H-1,4-benzoxazin-3-one
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Synonyms
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2,2-Dimethyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one
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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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11.167355
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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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1.6961274
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LogD (pH = 7.4)
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1.6960578
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Log P
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1.6961282
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Molar Refractivity
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57.357 cm3
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Polarizability
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20.802807 Å3
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Polar Surface Area
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84.15 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent