NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1,3-dihydroxy-octahydro-1H-1,3-benzodiazole-2-carboxylic acid; ethanol
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IUPAC Traditional name
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1,3-dihydroxy-hexahydro-2H-1,3-benzodiazole-2-carboxylic acid; ethyl alcohol
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Synonyms
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1,3-Dihydroxyperhydrobenzimidazol-2-carboxylic acid ethanolate tech
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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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3.7106864
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H Acceptors
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6
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H Donor
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3
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LogD (pH = 5.5)
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-1.9871702
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LogD (pH = 7.4)
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-3.4998243
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Log P
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-0.19868778
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Molar Refractivity
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46.0521 cm3
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Polarizability
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18.947182 Å3
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Polar Surface Area
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84.24 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent