NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(5-chloro-1H-1,3-benzodiazol-2-yl)propanoic acid
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IUPAC Traditional name
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3-(5-chloro-1H-1,3-benzodiazol-2-yl)propanoic acid
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Synonyms
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3-(5-Chloro-1H-benzoimidazol-2-yl)-propionic acid
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3-(5-chloro-1H-benzo[d]imidazol-2-yl)propanoic acid
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3-(6-Chloro-1H-benzoimidazol-2-yl)-propionic acid
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CAS Number
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MDL Number
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MFCD06753442
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MFCD07186400
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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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3.9506848
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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0.25864246
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LogD (pH = 7.4)
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-1.2758832
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Log P
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0.51052934
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Molar Refractivity
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55.1073 cm3
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Polarizability
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22.562376 Å3
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Polar Surface Area
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65.98 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent