NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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methyl 2-[3-(2-aminoethyl)-5-chloro-1H-indol-2-yl]-4-methylpentanoate
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IUPAC Traditional name
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methyl 2-[3-(2-aminoethyl)-5-chloro-1H-indol-2-yl]-4-methylpentanoate
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Synonyms
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2-[3-(2-Amino-ethyl)-5-chloro-1H-indol-2-yl]-4-methyl-pentanoic acid methyl ester
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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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15.37625
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H Acceptors
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2
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H Donor
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2
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LogD (pH = 5.5)
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0.5082937
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LogD (pH = 7.4)
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1.2789371
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Log P
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3.5132682
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Molar Refractivity
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89.457 cm3
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Polarizability
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36.177124 Å3
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Polar Surface Area
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68.11 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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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
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IRRITANT
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Show
data source
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MSDS Link
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TSCA Listed
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false
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent