BENZAMIDE, N-(5-AMINO-9,10-DIHYDRO-9,10-DIOXO-1-ANTHRACENYL)-

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S9H2H4BM68
EPA CompTox DTXSID6059445

Structure

InChI Key FWEQPMZEKHHFTB-UHFFFAOYSA-N
Smiles Nc1cccc2c1C(=O)c1c(c(NC(=O)c3ccccc3)ccc1)C2=O
InChI
InChI=1S/C21H14N2O3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,22H2,(H,23,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H14N2O3
Molecular Weight 342.1
AlogP 3.68
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 92.75
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 117-06-6
NORMAN SUSDAT
FDA SRS S9H2H4BM68
PubChem 67011
ChemSpider 60367.0
CONTENTS