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304448-55-3 molecular structure
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N'-[(1E)-(3,4-dihydroxyphenyl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide

ChemBase ID: 313063
Molecular Formular: C18H14N2O4
Molecular Mass: 322.31476
Monoisotopic Mass: 322.09535694
SMILES and InChIs

SMILES:
c1(c(cc(cc1)/C=N/NC(=O)c1c(cc2c(c1)cccc2)O)O)O
Canonical SMILES:
O=C(c1cc2ccccc2cc1O)N/N=C/c1ccc(c(c1)O)O
InChI:
InChI=1S/C18H14N2O4/c21-15-6-5-11(7-17(15)23)10-19-20-18(24)14-8-12-3-1-2-4-13(12)9-16(14)22/h1-10,21-23H,(H,20,24)/b19-10+
InChIKey:
SYNDQCRDGGCQRZ-VXLYETTFSA-N

Cite this record

CBID:313063 http://www.chembase.cn/molecule-313063.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N'-[(1E)-(3,4-dihydroxyphenyl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide
IUPAC Traditional name
N'-[(1E)-(3,4-dihydroxyphenyl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide
Synonyms
Dynasore
CAS Number
304448-55-3

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Selleck Chemicals S8047 external link Add to cart
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.7744646  H Acceptors
H Donor LogD (pH = 5.5) 3.6895907 
LogD (pH = 7.4) 3.537204  Log P 3.6919155 
Molar Refractivity 90.6284 cm3 Polarizability 34.62426 Å3
Polar Surface Area 102.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
Dynamin expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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