NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-({[2-(azepan-1-yl)ethyl](methyl)amino}methyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
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IUPAC Traditional name
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4-({[2-(azepan-1-yl)ethyl](methyl)amino}methyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
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Synonyms
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4-{[(2-azepan-1-ylethyl)(methyl)amino]methyl}-5-(hydroxymethyl)-2-methylpyridin-3-ol
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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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8.073407
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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-2.2726717
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LogD (pH = 7.4)
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-0.5480056
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Log P
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0.112227485
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Molar Refractivity
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90.5942 cm3
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Polarizability
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34.991264 Å3
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Polar Surface Area
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59.83 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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2
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Log P
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1.56
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LOG S
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-1.77
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Polar Surface Area
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59.83 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