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162214378 molecular structure
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6-ethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one

ChemBase ID: 120025
Molecular Formular: C14H15NO2
Molecular Mass: 229.2744
Monoisotopic Mass: 229.11027873
SMILES and InChIs

SMILES:
c12[nH]c3c(c1CCCC2=O)cc(cc3)OCC
Canonical SMILES:
CCOc1ccc2c(c1)c1CCCC(=O)c1[nH]2
InChI:
InChI=1S/C14H15NO2/c1-2-17-9-6-7-12-11(8-9)10-4-3-5-13(16)14(10)15-12/h6-8,15H,2-5H2,1H3
InChIKey:
WOTOWHAZJDKHTQ-UHFFFAOYSA-N

Cite this record

CBID:120025 http://www.chembase.cn/molecule-120025.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-ethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one
IUPAC Traditional name
6-ethoxy-2,3,4,9-tetrahydrocarbazol-1-one
Synonyms
6-ethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-one
PubChem SID
162214378
PubChem CID
49651891

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 49651891 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.67833  H Acceptors
H Donor LogD (pH = 5.5) 2.4990244 
LogD (pH = 7.4) 2.4990225  Log P 2.4990244 
Molar Refractivity 66.5025 cm3 Polarizability 26.59898 Å3
Polar Surface Area 42.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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