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5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[1,5-a]azepine-9-carboxylic acid
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ChemBase ID:
308756
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Molecular Formular:
C7H10N4O2
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Molecular Mass:
182.1799
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Monoisotopic Mass:
182.08037558
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SMILES and InChIs
SMILES:
c12n(nnn1)CCCCC2C(=O)O
Canonical SMILES:
OC(=O)C1CCCCn2c1nnn2
InChI:
InChI=1S/C7H10N4O2/c12-7(13)5-3-1-2-4-11-6(5)8-9-10-11/h5H,1-4H2,(H,12,13)
InChIKey:
UCVHFOGXOVXTGF-UHFFFAOYSA-N
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Cite this record
CBID:308756 http://www.chembase.cn/molecule-308756.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[1,5-a]azepine-9-carboxylic acid
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IUPAC Traditional name
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5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[1,5-a]azepine-9-carboxylic acid
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Synonyms
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6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxylic acid
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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-1.5880736
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LogD (pH = 7.4)
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-3.0233274
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Log P
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0.3265956
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Molar Refractivity
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56.3643 cm3
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Polarizability
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16.31105 Å3
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Polar Surface Area
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80.9 Å2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent