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162214409 molecular structure
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4-methoxy-5H,6H,11H-benzo[a]carbazole

ChemBase ID: 120056
Molecular Formular: C17H15NO
Molecular Mass: 249.3071
Monoisotopic Mass: 249.11536411
SMILES and InChIs

SMILES:
c12c(c3c([nH]1)cccc3)CCc1c2cccc1OC
Canonical SMILES:
COc1cccc2c1CCc1c2[nH]c2c1cccc2
InChI:
InChI=1S/C17H15NO/c1-19-16-8-4-6-13-12(16)9-10-14-11-5-2-3-7-15(11)18-17(13)14/h2-8,18H,9-10H2,1H3
InChIKey:
VVKTYDVNEVLNLM-UHFFFAOYSA-N

Cite this record

CBID:120056 http://www.chembase.cn/molecule-120056.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxy-5H,6H,11H-benzo[a]carbazole
IUPAC Traditional name
4-methoxy-5H,6H,11H-benzo[a]carbazole
Synonyms
4-methoxy-6,11-dihydro-5H-benzo[a]carbazole
PubChem SID
162214409
PubChem CID
11658856

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11658856 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.885116  H Acceptors
H Donor LogD (pH = 5.5) 4.04468 
LogD (pH = 7.4) 4.04468  Log P 4.04468 
Molar Refractivity 76.9016 cm3 Polarizability 31.960716 Å3
Polar Surface Area 25.02 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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INTERNET

INTERNET

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