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29620-62-0 molecular structure
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quinoline-4-carbohydrazide

ChemBase ID: 816196
Molecular Formular: C10H9N3O
Molecular Mass: 187.19796
Monoisotopic Mass: 187.07456192
SMILES and InChIs

SMILES:
c1cc2c(cc1)c(ccn2)C(=O)NN
Canonical SMILES:
NNC(=O)c1ccnc2c1cccc2
InChI:
InChI=1S/C10H9N3O/c11-13-10(14)8-5-6-12-9-4-2-1-3-7(8)9/h1-6H,11H2,(H,13,14)
InChIKey:
CPWKEFDYIVVJHG-UHFFFAOYSA-N

Cite this record

CBID:816196 http://www.chembase.cn/molecule-816196.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinoline-4-carbohydrazide
IUPAC Traditional name
quinoline-4-carbohydrazide
Synonyms
QUINOLINE-4-CARBOXYLIC ACID HYDRAZIDE
CAS Number
29620-62-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O40097 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O40097 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.468582  H Acceptors
H Donor LogD (pH = 5.5) 0.68368477 
LogD (pH = 7.4) 0.6850476  Log P 0.6850651 
Molar Refractivity 53.5418 cm3 Polarizability 21.212513 Å3
Polar Surface Area 68.01 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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