NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzoic acid
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IUPAC Traditional name
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3-[(1,3-dioxoisoindol-2-yl)methyl]benzoic acid
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Synonyms
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3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic 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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4.0299525
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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0.81840855
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LogD (pH = 7.4)
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-0.8424833
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Log P
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2.2991552
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Molar Refractivity
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76.0803 cm3
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Polarizability
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27.922075 Å3
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Polar Surface Area
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74.68 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