NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(2-fluoro-4-methanesulfonylphenyl)-1,4-diazepane
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IUPAC Traditional name
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1-(2-fluoro-4-methanesulfonylphenyl)-1,4-diazepane
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Synonyms
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4-(1,4-Diazepan-1-yl)-3-fluorophenyl methyl sulphone
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1-[2-Fluoro-4-(methylsulphonyl)phenyl]-1,4-diazepane
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1-[2-Fluoro-4-(methylsulphonyl)phenyl]homopiperazine
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1-[2-Fluoro-4-(methylsulfonyl)phenyl]-1,4-diazepane
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CAS Number
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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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19.730228
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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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-2.5602486
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LogD (pH = 7.4)
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-1.3556066
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Log P
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0.5883315
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Molar Refractivity
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70.3274 cm3
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Polarizability
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27.15722 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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2
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent