BENZAMIDE, N-(4-BROMO-9,10-DIHYDRO-9,10-DIOXO-1-ANTHRACENYL)-

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8BZ2TNC3FU
EPA CompTox DTXSID6058845

Structure

InChI Key JKRCBOYQTINLRS-UHFFFAOYSA-N
Smiles Brc1c2C(=O)c3c(cccc3)C(=O)c2c(NC(=O)c2ccccc2)cc1
InChI
InChI=1S/C21H12BrNO3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19(24)13-8-4-5-9-14(13)20(18)25/h1-11H,(H,23,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H12Br1N1O3
Molecular Weight 405.0
AlogP 4.86
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 66.73
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 81-44-7
NORMAN SUSDAT
FDA SRS 8BZ2TNC3FU
PubChem 66478
ChemSpider 59849.0
CONTENTS