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5382-47-8 molecular structure
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quinoline-6-carbohydrazide

ChemBase ID: 35103
Molecular Formular: C10H9N3O
Molecular Mass: 187.19796
Monoisotopic Mass: 187.07456192
SMILES and InChIs

SMILES:
C(=O)(c1cc2c(nccc2)cc1)NN
Canonical SMILES:
NNC(=O)c1ccc2c(c1)cccn2
InChI:
InChI=1S/C10H9N3O/c11-13-10(14)8-3-4-9-7(6-8)2-1-5-12-9/h1-6H,11H2,(H,13,14)
InChIKey:
ODFBQWDWMOXDDW-UHFFFAOYSA-N

Cite this record

CBID:35103 http://www.chembase.cn/molecule-35103.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinoline-6-carbohydrazide
IUPAC Traditional name
quinoline-6-carbohydrazide
Synonyms
Quinoline-6-carbohydrazide
CAS Number
5382-47-8
MDL Number
MFCD01063086
PubChem SID
160998410
PubChem CID
456707

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 456707 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.548456  H Acceptors
H Donor LogD (pH = 5.5) 0.67164785 
LogD (pH = 7.4) 0.6848936  Log P 0.6850651 
Molar Refractivity 53.5418 cm3 Polarizability 21.207039 Å3
Polar Surface Area 68.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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