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3377-71-7 molecular structure
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1-benzyl-1H-indole

ChemBase ID: 815776
Molecular Formular: C15H13N
Molecular Mass: 207.27042
Monoisotopic Mass: 207.10479942
SMILES and InChIs

SMILES:
c1cc2ccccc2n1Cc1ccccc1
Canonical SMILES:
c1ccc(cc1)Cn1ccc2c1cccc2
InChI:
InChI=1S/C15H13N/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)16/h1-11H,12H2
InChIKey:
NJZQOCCEDXRQJM-UHFFFAOYSA-N

Cite this record

CBID:815776 http://www.chembase.cn/molecule-815776.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl-1H-indole
IUPAC Traditional name
1-benzylindole
Synonyms
1-BENZYLINDOLE
CAS Number
3377-71-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38488 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38488 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.020157  LogD (pH = 7.4) 4.020157 
Log P 4.020157  Molar Refractivity 66.6538 cm3
Polarizability 27.069677 Å3 Polar Surface Area 4.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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