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

Structure

InChI Key YLFIKUFWZJZACZ-UHFFFAOYSA-N
Smiles NCCN(CCN)CCC#N
InChI
InChI=1S/C7H16N4/c8-2-1-5-11(6-3-9)7-4-10/h1,3-7,9-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H16N4
Molecular Weight 156.14
AlogP -0.88
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 79.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 65216-94-6
NORMAN SUSDAT