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MFCD00665834 molecular structure
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8-hydroxynaphthalene-1-carbohydrazide

ChemBase ID: 92841
Molecular Formular: C11H10N2O2
Molecular Mass: 202.2093
Monoisotopic Mass: 202.07422757
SMILES and InChIs

SMILES:
N(C(=O)c1cccc2c1c(ccc2)O)N
Canonical SMILES:
NNC(=O)c1cccc2c1c(O)ccc2
InChI:
InChI=1S/C11H10N2O2/c12-13-11(15)8-5-1-3-7-4-2-6-9(14)10(7)8/h1-6,14H,12H2,(H,13,15)
InChIKey:
NHCZKQJJECXESD-UHFFFAOYSA-N

Cite this record

CBID:92841 http://www.chembase.cn/molecule-92841.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-hydroxynaphthalene-1-carbohydrazide
IUPAC Traditional name
8-hydroxynaphthalene-1-carbohydrazide
Synonyms
8-Hydroxy-1-naphthoic hydrazide
MDL Number
MFCD00665834
PubChem SID
162079539
PubChem CID
2736585

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR9635 external link Add to cart Please log in.
Data Source Data ID
PubChem 2736585 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.125758  H Acceptors
H Donor LogD (pH = 5.5) 1.2124281 
LogD (pH = 7.4) 1.2052758  Log P 1.2133218 
Molar Refractivity 58.0516 cm3 Polarizability 22.701315 Å3
Polar Surface Area 75.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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