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

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LW7C2VCF9X
EPA CompTox DTXSID1059444

Structure

InChI Key VDCUNNJIPITONP-UHFFFAOYSA-N
Smiles Clc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O
InChI
InChI=1S/C21H12ClNO3/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,(H,23,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H12Cl1N1O3
Molecular Weight 361.05
AlogP 4.75
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 117-05-5
NORMAN SUSDAT
FDA SRS LW7C2VCF9X
PubChem 8325
ChemSpider 8022.0
CONTENTS