Keyword(s): Human Neurotoxin
Molecule Category Salt-form
EPA CompTox DTXSID8025757

Structure

InChI Key QZIQJVCYUQZDIR-UHFFFAOYSA-N
Smiles Cl.CN(CCCl)CCCl
InChI
InChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12Cl3N
Molecular Weight 191.0
AlogP 1.82
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 55-86-7
NORMAN SUSDAT