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161038-18-2 molecular structure
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5-fluoroquinolin-8-amine

ChemBase ID: 288337
Molecular Formular: C9H7FN2
Molecular Mass: 162.1636832
Monoisotopic Mass: 162.05932645
SMILES and InChIs

SMILES:
Nc1ccc(F)c2c1nccc2
Canonical SMILES:
Fc1ccc(c2c1cccn2)N
InChI:
InChI=1S/C9H7FN2/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h1-5H,11H2
InChIKey:
QDWQDAXFVALXGP-UHFFFAOYSA-N

Cite this record

CBID:288337 http://www.chembase.cn/molecule-288337.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoroquinolin-8-amine
IUPAC Traditional name
5-fluoroquinolin-8-amine
Synonyms
5-Fluoroquinolin-8-amine
CAS Number
161038-18-2
MDL Number
MFCD09263638
PubChem SID
180673868
PubChem CID
44558264

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44558264 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.81968  H Acceptors
H Donor LogD (pH = 5.5) 1.4387043 
LogD (pH = 7.4) 1.4446007  Log P 1.4446764 
Molar Refractivity 44.8961 cm3 Polarizability 17.733595 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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