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67360-38-7 molecular structure
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quinoline-7-carbonitrile

ChemBase ID: 36974
Molecular Formular: C10H6N2
Molecular Mass: 154.16804
Monoisotopic Mass: 154.0530982
SMILES and InChIs

SMILES:
c1c(cc2c(c1)cccn2)C#N
Canonical SMILES:
N#Cc1ccc2c(c1)nccc2
InChI:
InChI=1S/C10H6N2/c11-7-8-3-4-9-2-1-5-12-10(9)6-8/h1-6H
InChIKey:
OZMHIFNNCZPJFS-UHFFFAOYSA-N

Cite this record

CBID:36974 http://www.chembase.cn/molecule-36974.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinoline-7-carbonitrile
IUPAC Traditional name
quinoline-7-carbonitrile
Synonyms
Quinoline-7-carbonitrile
7-quinolinecarbonitrile
CAS Number
67360-38-7
MDL Number
MFCD12028057
PubChem SID
161000281
PubChem CID
22344048

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22344048 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.98679  LogD (pH = 7.4) 1.986994 
Log P 1.9869967  Molar Refractivity 45.7009 cm3
Polarizability 18.84498 Å3 Polar Surface Area 36.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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