Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80994094

Structure

InChI Key JYQCNZRDPHBDHC-UHFFFAOYSA-N
Smiles O=C1C(Br)=C(Br)C(=O)C=2C(O)=C(Br)C=C(N)C12
InChI
InChI=1/C10H4Br3NO3/c11-2-1-3(14)4-5(8(2)15)10(17)7(13)6(12)9(4)16/h1,15H,14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H4Br3NO3
Molecular Weight 422.77
AlogP 3.12
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Polar Surface Area 80.39
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 73384-70-0
NORMAN SUSDAT
PubChem 3018421