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151409-77-7 molecular structure
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1-(naphthalen-1-ylmethyl)-1H-indole-3-carbaldehyde

ChemBase ID: 311416
Molecular Formular: C20H15NO
Molecular Mass: 285.3392
Monoisotopic Mass: 285.11536411
SMILES and InChIs

SMILES:
n1(cc(c2c1cccc2)C=O)Cc1c2c(ccc1)cccc2
Canonical SMILES:
O=Cc1cn(c2c1cccc2)Cc1cccc2c1cccc2
InChI:
InChI=1S/C20H15NO/c22-14-17-13-21(20-11-4-3-10-19(17)20)12-16-8-5-7-15-6-1-2-9-18(15)16/h1-11,13-14H,12H2
InChIKey:
IJIPHJOFFJPRLX-UHFFFAOYSA-N

Cite this record

CBID:311416 http://www.chembase.cn/molecule-311416.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(naphthalen-1-ylmethyl)-1H-indole-3-carbaldehyde
IUPAC Traditional name
1-(naphthalen-1-ylmethyl)indole-3-carbaldehyde
Synonyms
1-(1-naphthylmethyl)-1H-indole-3-carbaldehyde
CAS Number
151409-77-7
MDL Number
MFCD02070803

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.722136  LogD (pH = 7.4) 4.722136 
Log P 4.722136  Molar Refractivity 89.688 cm3
Polarizability 36.507034 Å3 Polar Surface Area 22.0 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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