Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T4HW642ALH
EPA CompTox DTXSID00336472

Structure

InChI Key RTKMFQOHBDVEBC-UHFFFAOYSA-N
Smiles C=C(Br)CCO
InChI
InChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7BrO
Molecular Weight 149.97
AlogP 1.28
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 76334-36-6
NORMAN SUSDAT
FDA SRS T4HW642ALH