NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(cyclohexylmethyl)-3-(oxan-4-yl)-5-(pyrrolidin-3-yl)-1H-1,2,4-triazole
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IUPAC Traditional name
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1-(cyclohexylmethyl)-3-(oxan-4-yl)-5-(pyrrolidin-3-yl)-1,2,4-triazole
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Synonyms
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1-(cyclohexylmethyl)-5-pyrrolidin-3-yl-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
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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-0.9057636
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LogD (pH = 7.4)
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-0.4637924
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Log P
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2.4535184
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Molar Refractivity
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103.3729 cm3
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Polarizability
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35.51112 Å3
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Polar Surface Area
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51.97 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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H Acceptors
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4
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H Donor
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1
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Log P
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2.21
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LOG S
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-2.4
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Polar Surface Area
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51.97 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent