NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-methoxy-2,3,3-trimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium
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IUPAC Traditional name
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5-methoxy-2,3,3-trimethyl-1-(4-sulfonatobutyl)indol-1-ium
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Synonyms
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5-Methoxy-1-(4-sulfobutyl)-2,3,3-trimethylindolium, inner salt
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5-Methoxy-2,3,3-trimethyl-1-(4-sulfobutyl)indolium, inner salt
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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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-0.95320237
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H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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1.2324306
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LogD (pH = 7.4)
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1.2324307
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Log P
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-0.7911705
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Molar Refractivity
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96.315 cm3
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Polarizability
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34.180653 Å3
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Polar Surface Area
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69.44 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent