NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[3-(4-methylpiperazine-1-carbonyl)phenyl]boronic acid hydrochloride
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IUPAC Traditional name
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3-(4-methylpiperazine-1-carbonyl)phenylboronic acid hydrochloride
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Synonyms
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3-[(4-Methylpiperazin-1-yl)carbonyl]benzeneboronic acid hydrochloride 98%
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3-(4-Methyl-1-piperazinylcarbonyl)benzeneboronic acid hydrochloride
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3-(4-甲基-1-哌啶基羰基)苯硼酸盐酸盐
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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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8.614281
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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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-0.7257433
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LogD (pH = 7.4)
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0.46397507
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Log P
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0.5852
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Molar Refractivity
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65.5254 cm3
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Polarizability
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26.375622 Å3
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Polar Surface Area
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64.01 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent