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162214460 molecular structure
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2,3,4,9-tetrahydro-1H-carbazol-1-ol

ChemBase ID: 120107
Molecular Formular: C12H13NO
Molecular Mass: 187.23772
Monoisotopic Mass: 187.09971404
SMILES and InChIs

SMILES:
c12[nH]c3c(c1CCCC2O)cccc3
Canonical SMILES:
OC1CCCc2c1[nH]c1c2cccc1
InChI:
InChI=1S/C12H13NO/c14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-2,4,6,11,13-14H,3,5,7H2
InChIKey:
GXUZLXNKCOCTLH-UHFFFAOYSA-N

Cite this record

CBID:120107 http://www.chembase.cn/molecule-120107.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,4,9-tetrahydro-1H-carbazol-1-ol
IUPAC Traditional name
2,3,4,9-tetrahydro-1H-carbazol-1-ol
Synonyms
2,3,4,9-tetrahydro-1H-carbazol-1-ol
PubChem SID
162214460
PubChem CID
3696767

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
InterBioScreen
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Data Source Data ID
PubChem 3696767 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.246699  H Acceptors
H Donor LogD (pH = 5.5) 2.213452 
LogD (pH = 7.4) 2.213452  Log P 2.213452 
Molar Refractivity 56.0197 cm3 Polarizability 22.749533 Å3
Polar Surface Area 36.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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