NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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ethyl 1-(cyanomethyl)-1H-indole-2-carboxylate
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IUPAC Traditional name
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ethyl 1-(cyanomethyl)indole-2-carboxylate
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Synonyms
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ETHYL 1-(CYANOMETHYL)-1H-INDOLE-2-CARBOXYLATE
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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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11.740844
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H Acceptors
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2
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H Donor
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0
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LogD (pH = 5.5)
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2.1119018
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LogD (pH = 7.4)
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2.1118822
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Log P
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2.111902
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Molar Refractivity
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63.7565 cm3
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Polarizability
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25.325842 Å3
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Polar Surface Area
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55.02 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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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Purity
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98%
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent