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164242726 molecular structure
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6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-ol

ChemBase ID: 186816
Molecular Formular: C12H12BrNO
Molecular Mass: 266.13378
Monoisotopic Mass: 265.01022601
SMILES and InChIs

SMILES:
c12[nH]c3c(c1CCCC2O)cc(cc3)Br
Canonical SMILES:
Brc1ccc2c(c1)c1CCCC(c1[nH]2)O
InChI:
InChI=1S/C12H12BrNO/c13-7-4-5-10-9(6-7)8-2-1-3-11(15)12(8)14-10/h4-6,11,14-15H,1-3H2
InChIKey:
ODJMJEOJZGQCCD-UHFFFAOYSA-N

Cite this record

CBID:186816 http://www.chembase.cn/molecule-186816.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-ol
IUPAC Traditional name
6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-ol
PubChem SID
164242726
PubChem CID
597396

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 597396 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.243672  H Acceptors
H Donor LogD (pH = 5.5) 2.9822047 
LogD (pH = 7.4) 2.9822047  Log P 2.9822047 
Molar Refractivity 63.6425 cm3 Polarizability 25.39565 Å3
Polar Surface Area 36.02 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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