NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid
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IUPAC Traditional name
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[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetic acid
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Synonyms
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[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)thio]acetic acid
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CAS Number
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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
JChem
Acid pKa
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2.3552034
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-2.8828046
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LogD (pH = 7.4)
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-3.806726
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Log P
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0.12304712
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Molar Refractivity
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65.5945 cm3
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Polarizability
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20.847147 Å3
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Polar Surface Area
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90.19 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent