NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-{1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid
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IUPAC Traditional name
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4-{1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,2,3-triazol-4-yl}benzoic acid
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Synonyms
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4-{1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid
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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)
Acid pKa
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3.841112
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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1.4459
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LogD (pH = 7.4)
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1.1812105
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Log P
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1.4394786
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Molar Refractivity
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112.4455 cm3
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Polarizability
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39.805622 Å3
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Polar Surface Area
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71.25 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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1
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Log P
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3.9
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LOG S
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-5.23
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Polar Surface Area
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71.25 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent