NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetic acid
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IUPAC Traditional name
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[3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetic acid
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Synonyms
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[3-oxo-1-(2-pyridinylmethyl)-2-piperazinyl]acetic acid
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[3-Oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetic acid
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(3-Oxo-1-pyridin-2-ylmethyl-piperazin-2-yl)-acetic acid
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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
供应商提供(Chembridge)
JChem
LOG S
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0.5
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Polar Surface Area
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82.53 Å2
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Rotatable Bonds
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4
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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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-1.79
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Acid pKa
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3.6807775
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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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-2.2466648
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LogD (pH = 7.4)
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-3.702654
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Log P
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-2.0355039
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Molar Refractivity
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63.2854 cm3
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Polarizability
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24.88748 Å3
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Polar Surface Area
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82.53 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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PATENTS
PATENTS
PubChem Patent
Google Patent