5,6,7-Trimethoxy-4'-nitroflavone

HCID 10247733
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Basic information

Standard SMILES
COc1cc2oc(-c3ccc([N+](=O)[O-])cc3)cc(=O)c2c(OC)c1OC
InChIKey
UJDBXQMOIVCUDF-UHFFFAOYSA-N
Molecular formula
C18H15NO7
Average molar mass
357.3 g/mol

Names & identifiers

Preferred name
5,6,7-Trimethoxy-4'-nitroflavone
IUPAC
5,6,7-trimethoxy-2-(4-nitrophenyl)chromen-4-one

Names & synonyms

SCHEMBL736175CHEMBL1950540UJDBXQMOIVCUDF-UHFFFAOYSA-N5,6,7-trimethoxy-4'-nitroflavone

Database identifiers

PubChem CID
10247733
ChEMBL
CHEMBL1950540
Nikkaji
J2.089.399K

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
99.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
26

Related reactions

4 records
New reaction record

Compound notes

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