NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-({2-[2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propoxy]phenyl}methyl)azetidin-3-ol
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IUPAC Traditional name
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1-({2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl}methyl)azetidin-3-ol
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Synonyms
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1-{2-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropoxy]benzyl}azetidin-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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14.001702
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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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-1.2302028
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LogD (pH = 7.4)
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1.2695884
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Log P
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2.1077826
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Molar Refractivity
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106.9612 cm3
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Polarizability
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41.767582 Å3
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Polar Surface Area
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56.17 Å2
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Rotatable Bonds
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7
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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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2.55
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LOG S
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-3.06
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Polar Surface Area
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56.17 Å2
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Rotatable Bonds
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7
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent