NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(1H-1,2,4-triazol-1-ylmethyl)benzoic acid
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IUPAC Traditional name
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3-(1,2,4-triazol-1-ylmethyl)benzoic acid
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Synonyms
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3-(1H-1,2,4-triazol-1-ylmethyl)benzoic acid
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3-[1,2,4]Triazol-1-ylmethyl-benzoic acid
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3-(1H-1,2,4-Triazol-1-ylmethyl)benzoic acid 97%
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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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4.0373573
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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-0.3837126
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LogD (pH = 7.4)
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-2.044627
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Log P
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0.9938825
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Molar Refractivity
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66.0043 cm3
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Polarizability
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19.971811 Å3
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Polar Surface Area
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68.01 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