Keyword(s): Human Neurotoxin
Molecule Category Free-form
EPA CompTox DTXSID50211124

Structure

InChI Key SDJLVPMBBFRBLL-UHFFFAOYSA-N
Smiles CCN(CCCl)CC1=CC=CC=C1Br
InChI
InChI=1S/C11H15BrClN/c1-2-14(8-7-13)9-10-5-3-4-6-11(10)12/h3-6H,2,7-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15BrClN
Molecular Weight 275.01
AlogP 3.51
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 3.24
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 62078-98-2
NORMAN SUSDAT