Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key VVYGUYHMOZVCRM-UHFFFAOYSA-N
Smiles Cl.Cl.CCCN1CCNCC1
InChI
InChI=1/C7H16N2.2ClH/c1-2-5-9-6-3-8-4-7-9;;/h8H,2-7H2,1H3;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H18Cl2N2
Molecular Weight 200.08
AlogP 1.15
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 15.27
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 50733-94-3
NORMAN SUSDAT