NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-({[3-(trifluoromethyl)phenyl]amino}methyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
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IUPAC Traditional name
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4-({[3-(trifluoromethyl)phenyl]amino}methyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
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Synonyms
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2-({[3-(Trifluoromethyl)phenyl]amino}methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione
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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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16.782808
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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2.3074334
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LogD (pH = 7.4)
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2.3078535
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Log P
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2.307859
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Molar Refractivity
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82.6035 cm3
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Polarizability
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29.897907 Å3
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Polar Surface Area
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49.41 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
Safety Information
Bioassay(PubChem)
Storage Warning
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IRRITANT
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Show
data source
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MSDS Link
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PATENTS
PATENTS
PubChem Patent
Google Patent