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101125-32-0 molecular structure
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3-(4-fluorophenyl)-1H-indole

ChemBase ID: 801025
Molecular Formular: C14H10FN
Molecular Mass: 211.2343032
Monoisotopic Mass: 211.07972755
SMILES and InChIs

SMILES:
c1c(c2ccccc2[nH]1)c1ccc(cc1)F
Canonical SMILES:
Fc1ccc(cc1)c1c[nH]c2c1cccc2
InChI:
InChI=1S/C14H10FN/c15-11-7-5-10(6-8-11)13-9-16-14-4-2-1-3-12(13)14/h1-9,16H
InChIKey:
JFVIPMRWCFOHBG-UHFFFAOYSA-N

Cite this record

CBID:801025 http://www.chembase.cn/molecule-801025.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-fluorophenyl)-1H-indole
IUPAC Traditional name
3-(4-fluorophenyl)-1H-indole
Synonyms
3-(4-Fluoro-phenyl)-1H-indole
CAS Number
101125-32-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17250 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17250 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.118586  H Acceptors
H Donor LogD (pH = 5.5) 3.8619351 
LogD (pH = 7.4) 3.8619351  Log P 3.8619351 
Molar Refractivity 62.4971 cm3 Polarizability 26.243849 Å3
Polar Surface Area 15.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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