Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CEW6BCE7AA

Structure

InChI Key BZFKSWOGZQMOMO-UHFFFAOYSA-N
Smiles NCCCCl
InChI
InChI=1/C3H8ClN/c4-2-1-3-5/h1-3,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8ClN
Molecular Weight 93.03
AlogP 0.57
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 26.02
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 14753-26-5
NORMAN SUSDAT
FDA SRS CEW6BCE7AA