NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[(2S,3R)-2-hydroxynonan-3-yl]-4-nitrobenzamide
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IUPAC Traditional name
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N-[(2S,3R)-2-hydroxynonan-3-yl]-4-nitrobenzamide
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Synonyms
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rel-N-[(1R)-1-[(1S)-1-Hydroxyethyl]heptyl]-4-nitrobenzamide
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rac erythro-3-(4-Nitrobenzamido)nonan-2-ol
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CAS 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
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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13.895555
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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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3.4313908
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LogD (pH = 7.4)
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3.4313912
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Log P
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3.4313915
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Molar Refractivity
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85.4157 cm3
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Polarizability
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32.23875 Å3
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Polar Surface Area
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95.15 Å2
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Rotatable Bonds
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9
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent